 | | X7L | | Name: | N-[6-(cyclopentylmethoxy)-1,3-benzothiazol-2-yl]-4-{[(1S,2S)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonamide | | Formula: | C27 H35 F N4 O3 S2 | | SMILES: | CN(C)C1CCCCC1Nc1ccc(c(F)c1)S(=O)(=O)Nc1nc2ccc(cc2s1)OCC1CCCC1 | | InChi: | InChI=1S/C27H35FN4O3S2/c1-32(2)24-10-6-5-9-22(24)29-19-11-14-26(21(28)15-19)37(33,34)31-27-30-23-13-12-20(16-25(23)36-27)35-17-18-7-3-4-8-18/h11-16,18,22,24,29H,3-10,17H2,1-2H3,(H,30,31)/t22-,24-/m0/s1 | | Definition date: | 2022-11-04 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | N-[6-(cyclopentylmethoxy)-1,3-benzothiazol-2-yl]-4-{[(1S,2S)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonamide |
|
 | | X7R | | Name: | 5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide | | Formula: | C25 H29 Cl2 F N2 O4 S | | SMILES: | CC(c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1 | | InChi: | InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1 | | Definition date: | 2022-11-04 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide |
|
 | | X7W | | Name: | 5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide | | Formula: | C25 H26 Cl F4 N5 O2 S | | SMILES: | O=S(=O)(Nc1ccncn1)c1cc(Cl)c(NC2CCC(CC2N(C)C)c2cccc(c2)C(F)(F)F)cc1F | | InChi: | InChI=1S/C25H26ClF4N5O2S/c1-35(2)22-11-16(15-4-3-5-17(10-15)25(28,29)30)6-7-20(22)33-21-13-19(27)23(12-18(21)26)38(36,37)34-24-8-9-31-14-32-24/h3-5,8-10,12-14,16,20,22,33H,6-7,11H2,1-2H3,(H,31,32,34)/t16-,20-,22-/m0/s1 | | Definition date: | 2022-11-04 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide |
|
 | | X80 | | Name: | 5-chloro-4-(cyclopentylmethoxy)-N-(4-{[(1S,2S)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonyl)-2-fluorobenzamide | | Formula: | C27 H34 Cl F2 N3 O4 S | | SMILES: | CN(C)C1CCCCC1Nc1ccc(c(F)c1)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F | | InChi: | InChI=1S/C27H34ClF2N3O4S/c1-33(2)24-10-6-5-9-23(24)31-18-11-12-26(22(30)13-18)38(35,36)32-27(34)19-14-20(28)25(15-21(19)29)37-16-17-7-3-4-8-17/h11-15,17,23-24,31H,3-10,16H2,1-2H3,(H,32,34)/t23-,24-/m0/s1 | | Definition date: | 2022-11-04 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 5-chloro-4-(cyclopentylmethoxy)-N-(4-{[(1S,2S)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonyl)-2-fluorobenzamide |
|
 | | ZTS | | Name: | [({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino](oxo)acetic acid | | Formula: | C10 H13 N2 O8 P | | SMILES: | Oc1c(CNC(=O)C(=O)O)c(cnc1C)COP(=O)(O)O | | InChi: | InChI=1S/C10H13N2O8P/c1-5-8(13)7(3-12-9(14)10(15)16)6(2-11-5)4-20-21(17,18)19/h2,13H,3-4H2,1H3,(H,12,14)(H,15,16)(H2,17,18,19) | | Definition date: | 2023-04-03 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | [({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino](oxo)acetic acid |
|
 | | XUR | | Name: | (2S,4S)-5-carbamimidamido-4-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pentanoic acid (non-preferred name) | | Formula: | C14 H22 N5 O8 P | | SMILES: | Oc1c(/C=N/C(CC(O)CNC(=N)N)C(=O)O)c(cnc1C)COP(=O)(O)O | | InChi: | InChI=1S/C14H22N5O8P/c1-7-12(21)10(8(3-17-7)6-27-28(24,25)26)5-18-11(13(22)23)2-9(20)4-19-14(15)16/h3,5,9,11,20-21H,2,4,6H2,1H3,(H,22,23)(H4,15,16,19)(H2,24,25,26)/b18-5+/t9-,11-/m0/s1 | | Definition date: | 2022-12-12 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (2S,4S)-5-carbamimidamido-4-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pentanoic acid (non-preferred name) |
|
 | | XEC | | Name: | 1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C10 H15 N2 O9 P | | SMILES: | O=P(O)(O)OCC1OC(N2C=CC(=O)NC2=O)C(OC)C1O | | InChi: | InChI=1S/C10H15N2O9P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m0/s1 | | Definition date: | 2022-11-14 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione |
|
 | | VM5 | | Name: | 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide | | Formula: | C21 H13 Br Cl2 F N3 O4 S | | SMILES: | Brc1ccc(CC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)c(F)c1Oc1cc(C#N)cc(Cl)c1 | | InChi: | InChI=1S/C21H13BrCl2FN3O4S/c22-16-3-1-12(20(25)21(16)32-14-6-11(10-26)5-13(23)8-14)7-19(29)28-18-4-2-15(9-17(18)24)33(27,30)31/h1-6,8-9H,7H2,(H,28,29)(H2,27,30,31) | | Definition date: | 2021-12-29 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide |
|
 | | WK3 | | Name: | N-benzyl-2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethan-1-aminium | | Formula: | C21 H29 N2 O | | SMILES: | O=C(Nc1c(C)cccc1C)C[N+](Cc1ccccc1)(CC)CC | | InChi: | InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1 | | Definition date: | 2022-09-16 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | N-benzyl-2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethan-1-aminium |
|
 | | XHO | | Name: | (R)-ranolazine | | Formula: | C24 H33 N3 O4 | | SMILES: | OC(CN1CCN(CC1)CC(=O)Nc1c(C)cccc1C)COc1ccccc1OC | | InChi: | InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/t20-/m1/s1 | | Synonyms: | N-(2,6-dimethylphenyl)-2-{4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide | | Definition date: | 2022-11-18 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | N-(2,6-dimethylphenyl)-2-{4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide |
|
 | | ZIV | | Name: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-5-[bis(oxidanyl)phosphanyloxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3~{H}-purin-7-yl]ethyl]amino]-2-azanyl-butanoic acid | | Formula: | C26 H39 N12 O12 P | | SMILES: | O=C(O)C(N)CCN(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)CCN1CN(C2OC(COP(O)O)C(O)C2O)C=2NC(N)=NC(=O)C1=2 | | InChi: | InChI=1S/C26H39N12O12P/c27-10(25(44)45)1-2-35(5-11-15(39)17(41)23(49-11)37-8-32-13-19(28)30-7-31-20(13)37)3-4-36-9-38(21-14(36)22(43)34-26(29)33-21)24-18(42)16(40)12(50-24)6-48-51(46)47/h7-8,10-12,15-18,23-24,39-42,46,51H,1-6,9,27H2,(H,44,45)(H2,28,30,31)(H3,29,33,34,43)/q-1/t10-,11+,12+,15+,16-,17+,18+,23+,24+/m0/s1 | | Definition date: | 2023-03-13 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (2S)-2-amino-4-[(2-{2-amino-9-[(2R,3R,4R,5R)-5-{[(dihydroxyphosphanyl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-6-oxo-3,6,8,9-tetrahydro-7H-purin-7-yl}ethyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}amino]butanoic acid (non-preferred name) |
|
 | | Y0T | | Name: | N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide | | Formula: | C20 H19 N O8 S2 | | SMILES: | Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1 | | InChi: | InChI=1S/C20H19NO8S2/c22-17-7-5-15(11-19(17)24)30(26,27)14-3-1-13(2-4-14)9-10-21-31(28,29)16-6-8-18(23)20(25)12-16/h1-8,11-12,21-25H,9-10H2 | | Definition date: | 2022-12-20 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide |
|
 | | U3F | | Name: | 4-[bis(fluoranyl)methoxy]-2-[(2~{S})-5-chloranyl-6-fluoranyl-2-[[(4-oxidanylcyclohexyl)amino]methyl]-2-phenyl-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-benzamide | | Formula: | C29 H27 Cl F4 N2 O4 | | SMILES: | NC(=O)c1ccc(OC(F)F)c(F)c1c2c(Cl)c(F)cc3O[C](CN[CH]4CC[CH](O)CC4)(Cc23)c5ccccc5 | | InChi: | InChI=1S/C29H27ClF4N2O4/c30-25-20(31)12-22-19(23(25)24-18(27(35)38)10-11-21(26(24)32)39-28(33)34)13-29(40-22,15-4-2-1-3-5-15)14-36-16-6-8-17(37)9-7-16/h1-5,10-12,16-17,28,36-37H,6-9,13-14H2,(H2,35,38)/t16-,17-,29-/m1/s1 | | Definition date: | 2023-01-24 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 4-[bis(fluoranyl)methoxy]-2-[(2~{S})-5-chloranyl-6-fluoranyl-2-[[(4-oxidanylcyclohexyl)amino]methyl]-2-phenyl-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-benzamide |
|
 | | ZMH | | Name: | (6S,8R)-N-(3-bromo-4-fluorophenyl)-8-fluoro-10-methyl-11-oxo-1,3,4,7,8,9,10,11-octahydro-2H-pyrido[4',3':3,4]pyrazolo[1,5-a][1,4]diazepine-2-carboxamide | | Formula: | C18 H18 Br F2 N5 O2 | | SMILES: | Fc1ccc(cc1Br)NC(=O)N1Cc2c3C(=O)N(C)CC(F)Cn3nc2CC1 | | InChi: | InChI=1S/C18H18BrF2N5O2/c1-24-7-10(20)8-26-16(17(24)27)12-9-25(5-4-15(12)23-26)18(28)22-11-2-3-14(21)13(19)6-11/h2-3,6,10H,4-5,7-9H2,1H3,(H,22,28)/t10-/m1/s1 | | Definition date: | 2023-03-15 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (6S,8R)-N-(3-bromo-4-fluorophenyl)-8-fluoro-10-methyl-11-oxo-1,3,4,7,8,9,10,11-octahydro-2H-pyrido[4',3':3,4]pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
|
 | | U3O | | Name: | (2~{R})-2-[2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]sulfanylpropanoic acid | | Formula: | C16 H11 Cl2 F3 O3 S | | SMILES: | C[CH](Sc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1Cl)C(O)=O | | InChi: | InChI=1S/C16H11Cl2F3O3S/c1-8(15(22)23)25-14-7-10(3-4-11(14)17)24-13-5-2-9(6-12(13)18)16(19,20)21/h2-8H,1H3,(H,22,23)/t8-/m1/s1 | | Definition date: | 2023-01-24 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (2~{R})-2-[2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]sulfanylpropanoic acid |
|
 | | JUL | | Name: | 7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C20 H23 N5 O3 | | SMILES: | COc1cc2NC(=O)CN(c3nc(nc4CCCc34)N3CCOCC3)c2cc1 | | InChi: | InChI=1S/C20H23N5O3/c1-27-13-5-6-17-16(11-13)21-18(26)12-25(17)19-14-3-2-4-15(14)22-20(23-19)24-7-9-28-10-8-24/h5-6,11H,2-4,7-10,12H2,1H3,(H,21,26) | | Definition date: | 2022-02-02 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one |
|
 | | JV9 | | Name: | 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C17 H19 N5 O2 | | SMILES: | CNc1nc2CCCc2c(n1)N1CC(=O)Nc2cc(ccc21)OC | | InChi: | InChI=1S/C17H19N5O2/c1-18-17-20-12-5-3-4-11(12)16(21-17)22-9-15(23)19-13-8-10(24-2)6-7-14(13)22/h6-8H,3-5,9H2,1-2H3,(H,19,23)(H,18,20,21) | | Definition date: | 2022-02-02 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one |
|
 | | JVR | | Name: | 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C19 H21 N5 O2 | | SMILES: | COc1ccc2c(NC(=O)CN2c2nc(NC3CC3)nc3CCCc32)c1 | | InChi: | InChI=1S/C19H21N5O2/c1-26-12-7-8-16-15(9-12)21-17(25)10-24(16)18-13-3-2-4-14(13)22-19(23-18)20-11-5-6-11/h7-9,11H,2-6,10H2,1H3,(H,21,25)(H,20,22,23) | | Definition date: | 2022-02-02 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
|
 | | M2R | | Name: | [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate | | Formula: | C44 H81 N O8 P | | SMILES: | C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC/C=CC/C=CC/C=CC/C=CCCCCC | | InChi: | InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/p+1/b16-14-,21-20-,25-23-,31-29-/t42-/m1/s1 | | Definition date: | 2022-03-11 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (4S,7R,13Z,16Z,19Z,22Z)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphaoctacosa-13,16,19,22-tetraen-1-aminium |
|
 | | N5R | | Name: | 8-(4-chloroanilino)naphthalene-1-sulfonic acid | | Formula: | C16 H12 Cl N O3 S | | SMILES: | Clc1ccc(Nc2cccc3cccc(c23)S(=O)(=O)O)cc1 | | InChi: | InChI=1S/C16H12ClNO3S/c17-12-7-9-13(10-8-12)18-14-5-1-3-11-4-2-6-15(16(11)14)22(19,20)21/h1-10,18H,(H,19,20,21) | | Definition date: | 2022-03-24 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 8-(4-chloroanilino)naphthalene-1-sulfonic acid |
|
 | | N7U | | Name: | (4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid | | Formula: | C19 H16 N3 O3 P | | SMILES: | O=P(O)(O)c1ccc(cc1)Nc1c(nc2ccccn12)c1ccccc1 | | InChi: | InChI=1S/C19H16N3O3P/c23-26(24,25)16-11-9-15(10-12-16)20-19-18(14-6-2-1-3-7-14)21-17-8-4-5-13-22(17)19/h1-13,20H,(H2,23,24,25) | | Definition date: | 2022-03-24 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid |
|
 | | N8I | | Name: | [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid | | Formula: | C26 H22 N3 O3 P | | SMILES: | O=P(O)(O)Cc1ccc(cc1)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccccc1 | | InChi: | InChI=1S/C26H22N3O3P/c30-33(31,32)18-19-11-13-23(14-12-19)27-26-25(21-9-5-2-6-10-21)28-24-17-22(15-16-29(24)26)20-7-3-1-4-8-20/h1-17,27H,18H2,(H2,30,31,32) | | Definition date: | 2022-03-24 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid |
|
 | | O7F | | Name: | 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol | | Formula: | C16 H19 N3 O6 S2 | | SMILES: | O=S(=O)(c1cc(O)c(O)cc1)N1CCN(CC1)S(=O)(=O)c1cc(N)ccc1 | | InChi: | InChI=1S/C16H19N3O6S2/c17-12-2-1-3-13(10-12)26(22,23)18-6-8-19(9-7-18)27(24,25)14-4-5-15(20)16(21)11-14/h1-5,10-11,20-21H,6-9,17H2 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol |
|
 | | O7L | | Name: | 5-ethanoylthiophene-2-carbonitrile | | Formula: | C7 H5 N O S | | SMILES: | CC(=O)c1sc(cc1)C#N | | InChi: | InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3 | | Definition date: | 2023-01-26 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 5-ethanoylthiophene-2-carbonitrile |
|
 | | O7R | | Name: | 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone | | Formula: | C10 H10 O2 | | SMILES: | CC(=O)c1ccc2OCCc2c1 | | InChi: | InChI=1S/C10H10O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6H,4-5H2,1H3 | | Definition date: | 2023-01-26 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone |
|
