 | | 5XE | | Name: | 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide | | Formula: | C17 H18 Br N3 O4 S | | SMILES: | COc1cc2N(C)C(=O)N(C)c2cc1N[S](=O)(=O)c3ccc(Br)cc3C | | InChi: | InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3 | | Definition date: | 2015-12-20 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide |
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 | | OPX | | Name: | (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid | | Formula: | C12 H23 N O5 S | | SMILES: | O=S(=O)(O)C1(CC(O)C(O)C1)CNC2CCCCC2 | | InChi: | InChI=1S/C12H23NO5S/c14-10-6-12(7-11(10)15,19(16,17)18)8-13-9-4-2-1-3-5-9/h9-11,13-15H,1-8H2,(H,16,17,18)/t10-,11+,12- | | Definition date: | 2012-10-29 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid |
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 | | 35M | | Name: | 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid | | Formula: | C19 H14 N2 O5 | | SMILES: | OC(=O)c1ccnc(c1)c2cc(NC(=O)c3ccc(O)cc3)ccc2O | | InChi: | InChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26) | | Definition date: | 2015-07-10 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid |
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 | | 19D | | Name: | (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid | | Formula: | C11 H16 F N O8 | | SMILES: | O=C(O)C12OC(C(O1)C(NC(=O)C)C(O)C2F)C(O)CO | | InChi: | InChI=1S/C11H16FNO8/c1-3(15)13-5-6(17)9(12)11(10(18)19)20-7(4(16)2-14)8(5)21-11/h4-9,14,16-17H,2H2,1H3,(H,13,15)(H,18,19)/t4-,5-,6-,7-,8-,9-,11-/m1/s1 | | Definition date: | 2012-11-08 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (non-preferred name) |
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 | | 7HN | | Name: | 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID | | Formula: | C14 H7 F5 O4 | | SMILES: | O=C(O)c1ccc(O)c(O)c1Cc2c(F)c(F)c(F)c(F)c2F | | InChi: | InChI=1S/C14H7F5O4/c15-8-6(9(16)11(18)12(19)10(8)17)3-5-4(14(22)23)1-2-7(20)13(5)21/h1-2,20-21H,3H2,(H,22,23) | | Definition date: | 2014-09-18 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 3,4-dihydroxy-2-(pentafluorobenzyl)benzoic acid |
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 | | 57R | | Name: | (4S,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate | | Formula: | C19 H26 N4 O4 | | SMILES: | OC3(CCC(OC(=O)NC(C)C)c1c3n(nn1)Cc2ccc(cc2)OC)C | | InChi: | InChI=1S/C19H26N4O4/c1-12(2)20-18(24)27-15-9-10-19(3,25)17-16(15)21-22-23(17)11-13-5-7-14(26-4)8-6-13/h5-8,12,15,25H,9-11H2,1-4H3,(H,20,24)/t15-,19+/m0/s1 | | Definition date: | 2015-08-12 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | (4S,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate |
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 | | 59F | | Name: | (2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid | | Formula: | C23 H29 N5 O8 S | | SMILES: | C(N1C(C(=O)N(CC1)CC)=O)(NC(C(=O)NC(C2SCC(C(N2)C(O)=O)C)C=O)c3ccc(O)cc3)=O | | InChi: | InChI=1S/C23H29N5O8S/c1-3-27-8-9-28(21(33)20(27)32)23(36)26-17(13-4-6-14(30)7-5-13)18(31)24-15(10-29)19-25-16(22(34)35)12(2)11-37-19/h4-7,10,12,15-17,19,25,30H,3,8-9,11H2,1-2H3,(H,24,31)(H,26,36)(H,34,35)/t12-,15+,16+,17+,19+/m0/s1 | | Definition date: | 2015-08-27 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | (2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid |
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 | | 59H | | Name: | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid | | Formula: | C20 H25 N5 O6 S | | SMILES: | N(C(C1NC(C(O)=O)C(C)(C)S1)C=O)C(C(NC(N2C(NCC2)=O)=O)c3ccccc3)=O | | InChi: | InChI=1S/C20H25N5O6S/c1-20(2)14(17(28)29)24-16(32-20)12(10-26)22-15(27)13(11-6-4-3-5-7-11)23-19(31)25-9-8-21-18(25)30/h3-7,10,12-14,16,24H,8-9H2,1-2H3,(H,21,30)(H,22,27)(H,23,31)(H,28,29)/t12-,13-,14+,16-/m1/s1 | | Definition date: | 2015-08-27 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid |
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 | | 59J | | Name: | (2R,5R)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C23 H27 N5 O9 S | | SMILES: | c1(ccc(cc1)O)C(NC(=O)N2CCN(C(C2=O)=O)CC)C(=O)NC(C3SCC(C(=N3)C(O)=O)C)C(=O)O | | InChi: | InChI=1S/C23H27N5O9S/c1-3-27-8-9-28(20(32)19(27)31)23(37)26-15(12-4-6-13(29)7-5-12)17(30)24-16(22(35)36)18-25-14(21(33)34)11(2)10-38-18/h4-7,11,15-16,18,29H,3,8-10H2,1-2H3,(H,24,30)(H,26,37)(H,33,34)(H,35,36)/t11-,15+,16-,18+/m0/s1 | | Definition date: | 2015-08-27 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | (2R,5R)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | 5DF | | Name: | 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol | | Formula: | C18 H16 N2 O3 S | | SMILES: | c1(ccc(cc1)O)c2cc(c(nc2)N)c3ccc(cc3)S(=O)(=O)C | | InChi: | InChI=1S/C18H16N2O3S/c1-24(22,23)16-8-4-13(5-9-16)17-10-14(11-20-18(17)19)12-2-6-15(21)7-3-12/h2-11,21H,1H3,(H2,19,20) | | Definition date: | 2015-09-09 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol |
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 | | 5GN | | Name: | N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide | | Formula: | C22 H19 Br N4 O S2 | | SMILES: | c4c1c(cccc1Cc2cnc(s2)NC(=O)CSc3nc(cc(n3)C)C)ccc4Br | | InChi: | InChI=1S/C22H19BrN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)9-16-5-3-4-15-6-7-17(23)10-19(15)16/h3-8,10-11H,9,12H2,1-2H3,(H,24,27,28) | | Definition date: | 2015-09-24 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide |
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 | | 3Y0 | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C28 H49 N5 O13 P2 S | | SMILES: | O=P(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)(O)OP(=O)(O)OCC4OC(S)C(OCCCCCCCCCCCCC)C4O | | InChi: | InChI=1S/C28H49N5O13P2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-41-24-22(35)19(45-28(24)49)15-43-48(39,40)46-47(37,38)42-14-18-21(34)23(36)27(44-18)33-17-32-20-25(29)30-16-31-26(20)33/h16-19,21-24,27-28,34-36,49H,2-15H2,1H3,(H,37,38)(H,39,40)(H2,29,30,31)/t18-,19-,21-,22-,23-,24-,27-,28-/m1/s1 | | Definition date: | 2014-12-09 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-3-hydroxy-5-sulfanyl-4-(tridecyloxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | 7WH | | Name: | 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid | | Formula: | C15 H14 N2 O5 | | SMILES: | COCC(=O)Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O | | InChi: | InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21) | | Definition date: | 2015-07-09 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid |
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 | | 3ZU | | Name: | (2S)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3H-indol-3-one | | Formula: | C15 H12 N2 O3 | | SMILES: | [O-][N+]=2c1ccc(OC)cc1C(=O)C=2c3ccc(N)cc3 | | InChi: | InChI=1S/C15H12N2O3/c1-20-11-6-7-13-12(8-11)15(18)14(17(13)19)9-2-4-10(16)5-3-9/h2-8H,16H2,1H3 | | Definition date: | 2014-12-19 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 2-(4-aminophenyl)-5-methoxy-3H-indol-3-one 1-oxide |
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 | | 3ZV | | Name: | 5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one | | Formula: | C16 H13 N O3 | | SMILES: | O=C1c3cc(OC)ccc3N=C1c2ccc(OC)cc2 | | InChi: | InChI=1S/C16H13NO3/c1-19-11-5-3-10(4-6-11)15-16(18)13-9-12(20-2)7-8-14(13)17-15/h3-9H,1-2H3 | | Definition date: | 2014-12-19 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one |
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 | | 41V | | Name: | (1R,3R,7Z,14beta,17alpha)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol | | Formula: | C26 H44 O3 | | SMILES: | OC3CC(=C/C=C1/CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C26H44O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,5-8,11-17H2,1-4H3/b20-10-/t18-,21-,22-,23-,24-,26-/m1/s1 | | Definition date: | 2015-01-20 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | (1R,3R,7Z,14beta,17alpha)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol |
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 | | 44J | | Name: | N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | | Formula: | C21 H31 N9 O6 S2 | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCC5CC(n3c4ncnc(N)c4nc3)C(O)C5O | | InChi: | InChI=1S/C21H31N9O6S2/c22-19-16-20(24-8-23-19)30(9-25-16)12-5-10(17(32)18(12)33)6-26-38(35,36)29-14(31)4-2-1-3-13-15-11(7-37-13)27-21(34)28-15/h8-13,15,17-18,26,32-33H,1-7H2,(H,29,31)(H2,22,23,24)(H2,27,28,34)/t10-,11+,12-,13+,15+,17+,18-/m1/s1 | | Definition date: | 2015-02-04 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
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 | | 9CJ | | Name: | 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid | | Formula: | C21 H18 N2 O5 | | SMILES: | COc1cccc(CC(=O)Nc2ccc(O)c(c2)c3cc(ccn3)C(O)=O)c1 | | InChi: | InChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27) | | Definition date: | 2015-07-11 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid |
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 | | 52T | | Name: | (4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate | | Formula: | C19 H26 N4 O4 | | SMILES: | C(n2c1c(C(OC(NC(C)C)=O)CCC1(O)C)nn2)c3ccc(cc3)OC | | InChi: | InChI=1S/C19H26N4O4/c1-12(2)20-18(24)27-15-9-10-19(3,25)17-16(15)21-22-23(17)11-13-5-7-14(26-4)8-6-13/h5-8,12,15,25H,9-11H2,1-4H3,(H,20,24)/t15-,19-/m1/s1 | | Definition date: | 2015-07-20 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | (4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate |
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 | | 53F | | Name: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate | | Formula: | C29 H41 N3 O9 S | | SMILES: | Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(NC(OC2CCOC3C2C(O)CO3)=O)Cc4ccc(OC)cc4 | | InChi: | InChI=1S/C29H41N3O9S/c1-18(2)15-32(42(36,37)22-10-6-20(30)7-11-22)16-24(33)23(14-19-4-8-21(38-3)9-5-19)31-29(35)41-26-12-13-39-28-27(26)25(34)17-40-28/h4-11,18,23-28,33-34H,12-17,30H2,1-3H3,(H,31,35)/t23-,24+,25-,26-,27-,28-/m0/s1 | | Definition date: | 2015-07-21 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate |
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 | | 55K | | Name: | 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid | | Formula: | C20 H22 N2 O5 S | | SMILES: | C1C(CCC1)(C(O)=O)CNS(=O)(c2c4c3c(cc2)N(C(c3ccc4)=O)CC)=O | | InChi: | InChI=1S/C20H22N2O5S/c1-2-22-15-8-9-16(13-6-5-7-14(17(13)15)18(22)23)28(26,27)21-12-20(19(24)25)10-3-4-11-20/h5-9,21H,2-4,10-12H2,1H3,(H,24,25) | | Definition date: | 2015-07-29 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid |
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 | | 94A | | Name: | (4R,7S)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate | | Formula: | C19 H26 N4 O4 | | SMILES: | O=C(NC(C)C)OC1CCC(c2c1nnn2Cc3ccc(OC)cc3)(C)O | | InChi: | InChI=1S/C19H26N4O4/c1-12(2)20-18(24)27-15-9-10-19(3,25)17-16(15)21-22-23(17)11-13-5-7-14(26-4)8-6-13/h5-8,12,15,25H,9-11H2,1-4H3,(H,20,24)/t15-,19+/m1/s1 | | Definition date: | 2015-08-12 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | (4R,7S)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate |
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 | | E0A | | Name: | N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide | | Formula: | C17 H20 N2 O3 S | | SMILES: | CCCCS(Nc1c3c2c(cc1)N(C(c2ccc3)=O)CC)(=O)=O | | InChi: | InChI=1S/C17H20N2O3S/c1-3-5-11-23(21,22)18-14-9-10-15-16-12(14)7-6-8-13(16)17(20)19(15)4-2/h6-10,18H,3-5,11H2,1-2H3 | | Definition date: | 2015-08-10 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide |
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 | | E0B | | Name: | N-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | | Formula: | C21 H25 N3 O4 S | | SMILES: | C1C(CCN(C1)C(=O)C)CNS(=O)(c3ccc2N(C(c4c2c3ccc4)=O)CC)=O | | InChi: | InChI=1S/C21H25N3O4S/c1-3-24-18-7-8-19(16-5-4-6-17(20(16)18)21(24)26)29(27,28)22-13-15-9-11-23(12-10-15)14(2)25/h4-8,15,22H,3,9-13H2,1-2H3 | | Definition date: | 2015-08-10 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | N-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide |
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 | | E0C | | Name: | 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide | | Formula: | C20 H17 Br N2 O4 S | | SMILES: | CCN2C(=O)c1c3c(ccc1)c(ccc23)NS(=O)(=O)c4cc(Br)ccc4OC | | InChi: | InChI=1S/C20H17BrN2O4S/c1-3-23-16-9-8-15(13-5-4-6-14(19(13)16)20(23)24)22-28(25,26)18-11-12(21)7-10-17(18)27-2/h4-11,22H,3H2,1-2H3 | | Definition date: | 2015-09-29 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide |
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