 | | I7B | | Name: | 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE | | Formula: | C6 H8 Cl N3 O4 S2 | | SMILES: | O=S(=O)(c1cc(c(cc1Cl)N)S(=O)(=O)N)N | | InChi: | InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14) | | Definition date: | 2007-05-02 | | Last modified: | 2011-06-04 | | Identifier: | 4-amino-6-chlorobenzene-1,3-disulfonamide |
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 | | I7C | | Name: | 4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE | | Formula: | C7 H8 F3 N3 O4 S2 | | SMILES: | O=S(=O)(c1cc(c(cc1N)C(F)(F)F)S(=O)(=O)N)N | | InChi: | InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17) | | Definition date: | 2007-05-02 | | Last modified: | 2011-06-04 | | Identifier: | 4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide |
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 | | IBF | | Name: | 1,2,3,4,5-pentafluoro-6-iodobenzene | | Formula: | C6 F5 I | | SMILES: | Fc1c(F)c(F)c(F)c(I)c1F | | InChi: | InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9 | | Definition date: | 2008-07-11 | | Last modified: | 2011-06-04 | | Identifier: | 1,2,3,4,5-pentafluoro-6-iodobenzene |
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 | | 4EB | | Name: | 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE | | Formula: | C29 H26 F N3 O5 S2 | | SMILES: | Fc1ccc(cc1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c([N+]([O-])=O)c3)NCCSc4ccc(cc4C)C | | InChi: | InChI=1S/C29H26FN3O5S2/c1-19-3-14-28(20(2)17-19)39-16-15-31-26-13-12-25(18-27(26)33(35)36)40(37,38)32-29(34)23-6-4-21(5-7-23)22-8-10-24(30)11-9-22/h3-14,17-18,31H,15-16H2,1-2H3,(H,32,34) | | Definition date: | 2005-03-09 | | Last modified: | 2011-06-04 | | Identifier: | N-{[4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-3-nitrophenyl]sulfonyl}-4'-fluorobiphenyl-4-carboxamide |
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 | | 4MD | | Name: | N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide | | Formula: | C14 H15 Cl N2 O4 S2 | | SMILES: | Clc1ccc(cc1)CN(C)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N | | InChi: | InChI=1S/C14H15ClN2O4S2/c1-17(10-11-2-4-12(15)5-3-11)23(20,21)14-8-6-13(7-9-14)22(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19) | | Definition date: | 2008-06-03 | | Last modified: | 2011-06-04 | | Identifier: | N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide |
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 | | 4NC | | Name: | 4-NITROCATECHOL | | Formula: | C6 H5 N O4 | | SMILES: | [O-][N+](=O)c1cc(O)c(O)cc1 | | InChi: | InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-nitrobenzene-1,2-diol |
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 | | 4NZ | | Name: | 4-nitrobenzenesulfonamide | | Formula: | C6 H6 N2 O4 S | | SMILES: | O=S(=O)(N)c1ccc([N+]([O-])=O)cc1 | | InChi: | InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12) | | Definition date: | 2010-04-01 | | Last modified: | 2011-06-04 | | Identifier: | 4-nitrobenzenesulfonamide |
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 | | IH1 | | Name: | 2-[2-(4-BROMO-BENZENESULFONYL)-ETHYL]-1-3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE | | Formula: | C23 H29 Br N6 O5 S | | SMILES: | Brc1ccc(cc1)S(=O)(=O)CCN2C(=O)N4N(C2=O)CC=CC4C(=O)NCC3CCC(C(=[N@H])N)CC3 | | InChi: | InChI=1S/C23H29BrN6O5S/c24-17-7-9-18(10-8-17)36(34,35)13-12-28-22(32)29-11-1-2-19(30(29)23(28)33)21(31)27-14-15-3-5-16(6-4-15)20(25)26/h1-2,7-10,15-16,19H,3-6,11-14H2,(H3,25,26)(H,27,31)/t15-,16-,19-/m0/s1 | | Definition date: | 1999-10-13 | | Last modified: | 2011-06-04 | | Identifier: | (5S)-2-{2-[(4-bromophenyl)sulfonyl]ethyl}-N-[(trans-4-carbamimidoylcyclohexyl)methyl]-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide |
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 | | IN4 | | Name: | +/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE | | Formula: | C20 H24 N4 O2 | | SMILES: | O=C(OC)CC(c1cc(ccc1)C(=[N@H])N)CCc2ccc(C(=[N@H])N)cc2 | | InChi: | InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)/t16-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | methyl (3S)-3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoate |
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 | | IN7 | | Name: | [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID | | Formula: | C19 H22 N2 O4 S | | SMILES: | O=C(O)CNS(=O)(=O)c1ccc(cc1)N3CCC(c2ccccc2)CC3 | | InChi: | InChI=1S/C19H22N2O4S/c22-19(23)14-20-26(24,25)18-8-6-17(7-9-18)21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,20H,10-14H2,(H,22,23) | | Definition date: | 1999-10-07 | | Last modified: | 2011-06-04 | | Identifier: | N-{[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyl}glycine |
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 | | INK | | Name: | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE | | Formula: | C11 H16 Cl O3 P | | SMILES: | ClP(=O)(OC(COc1ccccc1)CC)C | | InChi: | InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16-/m1/s1 | | Definition date: | 2001-01-03 | | Last modified: | 2011-06-04 | | Identifier: | (1R)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate |
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 | | INU | | Name: | N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE | | Formula: | C27 H29 N O5 S | | SMILES: | O=S(=O)(c1ccccc1)Nc2cccc(c2)C(C3=C(O)C4=C(OC3=O)CCCCCC4)C5CC5 | | InChi: | InChI=1S/C27H29NO5S/c29-26-22-13-6-1-2-7-14-23(22)33-27(30)25(26)24(18-15-16-18)19-9-8-10-20(17-19)28-34(31,32)21-11-4-3-5-12-21/h3-5,8-12,17-18,24,28-29H,1-2,6-7,13-16H2/t24-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-{3-[(S)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamide |
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 | | IPH | | Name: | PHENOL | | Formula: | C6 H6 O | | SMILES: | Oc1ccccc1 | | InChi: | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | phenol |
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 | | D9H | | Name: | 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide | | Formula: | C11 H13 Cl N6 O3 S | | SMILES: | Clc1nc(nc(n1)NCCO)Nc2ccc(cc2)S(=O)(=O)N | | InChi: | InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18) | | Definition date: | 2010-04-21 | | Last modified: | 2011-06-04 | | Identifier: | 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide |
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 | | DA4 | | Name: | 3-ethynylbenzenesulfonamide | | Formula: | C8 H7 N O2 S | | SMILES: | N[S](=O)(=O)c1cccc(c1)C#C | | InChi: | InChI=1S/C8H7NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h1,3-6H,(H2,9,10,11) | | Definition date: | 2009-11-05 | | Last modified: | 2011-06-04 | | Identifier: | 3-ethynylbenzenesulfonamide |
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 | | DBX | | Name: | 2,5-dihydroxybenzenesulfonic acid | | Formula: | C6 H6 O5 S | | SMILES: | O=S(=O)(O)c1cc(O)ccc1O | | InChi: | InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11) | | Definition date: | 2009-10-01 | | Last modified: | 2011-06-04 | | Identifier: | 2,5-dihydroxybenzenesulfonic acid |
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 | | DC5 | | Name: | 2,6-DICHLOROBIPHENYL | | Formula: | C12 H8 Cl2 | | SMILES: | Clc2cccc(Cl)c2c1ccccc1 | | InChi: | InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H | | Definition date: | 2010-09-29 | | Last modified: | 2011-06-04 | | Identifier: | 2,6-dichlorobiphenyl |
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 | | DFT | | Name: | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE | | Formula: | C12 H15 F2 O6 P | | SMILES: | O=P(OCC2OC(c1cc(c(F)cc1F)C)CC2O)(O)O | | InChi: | InChI=1S/C12H15F2O6P/c1-6-2-7(9(14)3-8(6)13)11-4-10(15)12(20-11)5-19-21(16,17)18/h2-3,10-12,15H,4-5H2,1H3,(H2,16,17,18)/t10-,11+,12+/m0/s1 | | Definition date: | 1999-09-28 | | Last modified: | 2011-06-04 | | Identifier: | (1R)-1,4-anhydro-2-deoxy-1-(2,4-difluoro-5-methylphenyl)-5-O-phosphono-D-erythro-pentitol |
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 | | DID | | Name: | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | | Formula: | C20 H26 N4 O2 | | SMILES: | O(c1ccc(cc1)C(=[N@H])N)CCCCCCOc2ccc(C(=[N@H])N)cc2 | | InChi: | InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24) | | Definition date: | 2003-12-17 | | Last modified: | 2011-06-04 | | Identifier: | 4,4'-[hexane-1,6-diylbis(oxy)]dibenzenecarboximidamide |
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 | | AYX | | Name: | 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide | | Formula: | C13 H12 N4 O5 S | | SMILES: | O=S(=O)(N)c2ccc(NC(=O)Nc1cccc([N+]([O-])=O)c1)cc2 | | InChi: | InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18) | | Definition date: | 2010-05-26 | | Last modified: | 2011-06-04 | | Identifier: | 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide |
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 | | IXS | | Name: | N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide | | Formula: | C34 H44 F N5 O5 S | | SMILES: | O=S(=O)(N(c1cc(cc(c1)C(=O)NC(c2ccc(F)cc2)C)C(=O)NC(Cc3ccccc3)CNC(C(=O)NCC(C)C)C)C)C | | InChi: | InChI=1S/C34H44FN5O5S/c1-22(2)20-37-32(41)24(4)36-21-30(16-25-10-8-7-9-11-25)39-34(43)28-17-27(18-31(19-28)40(5)46(6,44)45)33(42)38-23(3)26-12-14-29(35)15-13-26/h7-15,17-19,22-24,30,36H,16,20-21H2,1-6H3,(H,37,41)(H,38,42)(H,39,43)/t23-,24+,30+/m1/s1 | | Definition date: | 2007-08-24 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1S)-1-benzyl-2-({(1S)-1-methyl-2-[(2-methylpropyl)amino]-2-oxoethyl}amino)ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide |
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 | | IZ1 | | Name: | N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide | | Formula: | C27 H23 F3 N4 O5 S2 | | SMILES: | O=C5NS(=O)(=O)C(c1ccc(cc1)CC(c3nc(c2ccccc2)cn3)NS(=O)(=O)c4cccc(c4)C(F)(F)F)C5 | | InChi: | InChI=1S/C27H23F3N4O5S2/c28-27(29,30)20-7-4-8-21(14-20)40(36,37)33-22(26-31-16-23(32-26)18-5-2-1-3-6-18)13-17-9-11-19(12-10-17)24-15-25(35)34-41(24,38)39/h1-12,14,16,22,24,33H,13,15H2,(H,31,32)(H,34,35)/t22-,24-/m0/s1 | | Definition date: | 2007-10-27 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide |
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 | | IZ2 | | Name: | N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide | | Formula: | C28 H25 F3 N4 O5 S2 | | SMILES: | O=C5NS(=O)(=O)C(c1ccc(cc1)CC(c2nc(cn2)Cc3ccccc3)NS(=O)(=O)c4cccc(c4)C(F)(F)F)C5 | | InChi: | InChI=1S/C28H25F3N4O5S2/c29-28(30,31)21-7-4-8-23(15-21)41(37,38)34-24(27-32-17-22(33-27)13-18-5-2-1-3-6-18)14-19-9-11-20(12-10-19)25-16-26(36)35-42(25,39)40/h1-12,15,17,24-25,34H,13-14,16H2,(H,32,33)(H,35,36)/t24-,25-/m0/s1 | | Definition date: | 2007-10-27 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide |
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 | | IZ3 | | Name: | 3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide | | Formula: | C27 H22 F2 N4 O5 S2 | | SMILES: | Fc1cccc(c1)[S](=O)(=O)N[CH](Cc2ccc(cc2)[CH]3CC(=O)N[S]3(=O)=O)C4=NC(=C=N4)Cc5ccccc5F | | InChi: | InChI=1S/C27H22F2N4O5S2/c28-20-5-3-6-22(14-20)39(35,36)32-24(27-30-16-21(31-27)13-19-4-1-2-7-23(19)29)12-17-8-10-18(11-9-17)25-15-26(34)33-40(25,37)38/h1-11,14,24-25,32H,12-13,15H2,(H,33,34)/t24-,25-/m0/s1 | | Definition date: | 2007-10-27 | | Last modified: | 2011-06-04 | | Identifier: | 3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide |
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 | | IZ4 | | Name: | N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide | | Formula: | C28 H29 F N4 O5 S2 | | SMILES: | O=C5NS(=O)(=O)C(c1ccc(cc1)CC(C3=NC(CCc2ccccc2)CN3)NS(=O)(=O)c4cccc(F)c4)C5 | | InChi: | InChI=1S/C28H29FN4O5S2/c29-22-7-4-8-24(16-22)39(35,36)32-25(28-30-18-23(31-28)14-11-19-5-2-1-3-6-19)15-20-9-12-21(13-10-20)26-17-27(34)33-40(26,37)38/h1-10,12-13,16,23,25-26,32H,11,14-15,17-18H2,(H,30,31)(H,33,34)/t23-,25+,26+/m1/s1 | | Definition date: | 2007-10-27 | | Last modified: | 2011-06-04 | | Identifier: | N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide |
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