| O8X | Name: | 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide | Formula: | C20 H19 N O7 S2 | SMILES: | Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1 | InChi: | InChI=1S/C20H19NO7S2/c22-15-2-1-3-17(12-15)29(25,26)16-6-4-14(5-7-16)10-11-21-30(27,28)18-8-9-19(23)20(24)13-18/h1-9,12-13,21-24H,10-11H2 | Definition date: | 2022-04-27 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide |
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| O99 | Name: | 3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide | Formula: | C19 H17 N O7 S2 | SMILES: | Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1 | InChi: | InChI=1S/C19H17NO7S2/c21-14-2-1-3-16(10-14)28(24,25)15-6-4-13(5-7-15)12-20-29(26,27)17-8-9-18(22)19(23)11-17/h1-11,20-23H,12H2 | Definition date: | 2022-04-27 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | 3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide |
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| O9I | Name: | N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide | Formula: | C25 H21 N O9 S2 | SMILES: | O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1cc(O)c(O)cc1c1ccc(O)cc1 | InChi: | InChI=1S/C25H21NO9S2/c27-17-5-3-16(4-6-17)20-12-23(30)24(31)13-25(20)37(34,35)26-14-15-1-7-18(8-2-15)36(32,33)19-9-10-21(28)22(29)11-19/h1-13,26-31H,14H2 | Definition date: | 2022-04-27 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide |
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| O9R | Name: | 4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide | Formula: | C25 H21 N O8 S2 | SMILES: | O=S(=O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O)cc1c1ccc(O)cc1 | InChi: | InChI=1S/C25H21NO8S2/c27-18-8-6-17(7-9-18)22-13-23(29)24(30)14-25(22)36(33,34)26-15-16-4-10-20(11-5-16)35(31,32)21-3-1-2-19(28)12-21/h1-14,26-30H,15H2 | Definition date: | 2022-04-27 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | 4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide |
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| OAT | Name: | N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide | Formula: | C25 H21 N O10 S2 | SMILES: | Oc1ccc(cc1O)S(=O)(=O)N(Cc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1ccc(O)c(O)c1 | InChi: | InChI=1S/C25H21NO10S2/c27-20-8-3-16(11-23(20)30)26(38(35,36)19-7-10-22(29)25(32)13-19)14-15-1-4-17(5-2-15)37(33,34)18-6-9-21(28)24(31)12-18/h1-13,27-32H,14H2 | Definition date: | 2022-04-27 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide |
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| OB0 | Name: | 4-[4-(4-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)c1ccc(N)cc1 | InChi: | InChI=1S/C16H19N3O6S2/c17-12-1-3-13(4-2-12)26(22,23)18-7-9-19(10-8-18)27(24,25)14-5-6-15(20)16(21)11-14/h1-6,11,20-21H,7-10,17H2 | Definition date: | 2022-04-27 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | 4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol |
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| OCU | Name: | (1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol | Formula: | C22 H23 N3 O8 S2 | SMILES: | O=S(=O)(c1cc(O)c(O)cc1c1ccc(O)c(O)c1)N1CCN(CC1)S(=O)(=O)c1cc(N)ccc1 | InChi: | InChI=1S/C22H23N3O8S2/c23-15-2-1-3-16(11-15)34(30,31)24-6-8-25(9-7-24)35(32,33)22-13-21(29)20(28)12-17(22)14-4-5-18(26)19(27)10-14/h1-5,10-13,26-29H,6-9,23H2 | Definition date: | 2022-04-27 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | (1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol |
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| OD5 | Name: | 4,4'-sulfonyldi(benzene-1,2-diol) | Formula: | C12 H10 O6 S | SMILES: | Oc1ccc(cc1O)S(=O)(=O)c1cc(O)c(O)cc1 | InChi: | InChI=1S/C12H10O6S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6,13-16H | Definition date: | 2022-04-27 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | 4,4'-sulfonyldi(benzene-1,2-diol) |
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| OD9 | Name: | (1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide | Formula: | C26 H23 N O8 S | SMILES: | O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1 | InChi: | InChI=1S/C26H23NO8S/c28-20-7-5-17(10-22(20)30)9-15-1-3-16(4-2-15)14-27-36(34,35)26-13-25(33)24(32)12-19(26)18-6-8-21(29)23(31)11-18/h1-8,10-13,27-33H,9,14H2 | Definition date: | 2022-04-27 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | (1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide |
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| ODL | Name: | N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide | Formula: | C20 H19 N O4 S | SMILES: | O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1ccccc1 | InChi: | InChI=1S/C20H19NO4S/c22-19-11-10-17(13-20(19)23)12-15-6-8-16(9-7-15)14-21-26(24,25)18-4-2-1-3-5-18/h1-11,13,21-23H,12,14H2 | Definition date: | 2022-04-27 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide |
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| OE0 | Name: | N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide | Formula: | C20 H19 N O6 S | SMILES: | Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(Cc2ccc(O)c(O)c2)cc1 | InChi: | InChI=1S/C20H19NO6S/c22-17-7-5-15(10-19(17)24)9-13-1-3-14(4-2-13)12-21-28(26,27)16-6-8-18(23)20(25)11-16/h1-8,10-11,21-25H,9,12H2 | Definition date: | 2022-04-27 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide |
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| OYH | Name: | 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid | Formula: | C27 H19 N3 O4 | SMILES: | O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccccc1 | InChi: | InChI=1S/C27H19N3O4/c31-26(32)21-12-11-20(16-22(21)27(33)34)28-25-24(18-9-5-2-6-10-18)29-23-15-19(13-14-30(23)25)17-7-3-1-4-8-17/h1-16,28H,(H,31,32)(H,33,34) | Definition date: | 2022-05-19 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid |
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| OYR | Name: | 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid | Formula: | C41 H32 N4 O5 | SMILES: | O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c1ccccc1)c1ccc(CCOCc2ccc(cc2)c2ccccn2)cc1 | InChi: | InChI=1S/C41H32N4O5/c46-40(47)34-18-17-33(25-35(34)41(48)49)43-39-38(44-37-24-32(19-22-45(37)39)29-6-2-1-3-7-29)31-15-9-27(10-16-31)20-23-50-26-28-11-13-30(14-12-28)36-8-4-5-21-42-36/h1-19,21-22,24-25,43H,20,23,26H2,(H,46,47)(H,48,49) | Definition date: | 2022-05-19 | Last modified: | 2023-04-07 | Release date: | 2023-04-12 | Identifier: | 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid |
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| Y3I | Name: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | Formula: | C19 H19 Cl N6 | SMILES: | N#Cc1cccc(c1)c1c2c(ncnc2[NH]c1Cl)N1CC(C)CC(N)C1 | InChi: | InChI=1S/C19H19ClN6/c1-11-5-14(22)9-26(8-11)19-16-15(13-4-2-3-12(6-13)7-21)17(20)25-18(16)23-10-24-19/h2-4,6,10-11,14H,5,8-9,22H2,1H3,(H,23,24,25)/t11-,14+/m0/s1 | Definition date: | 2023-01-03 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile |
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| Y3O | Name: | (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | Formula: | C19 H19 Cl N6 | SMILES: | N#Cc1cccc(c1)c1c2c(ncnc2[NH]c1Cl)N1CC(N)CCC1C | InChi: | InChI=1S/C19H19ClN6/c1-11-5-6-14(22)9-26(11)19-16-15(13-4-2-3-12(7-13)8-21)17(20)25-18(16)23-10-24-19/h2-4,7,10-11,14H,5-6,9,22H2,1H3,(H,23,24,25)/t11-,14+/m0/s1 | Definition date: | 2023-01-03 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile |
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| XXF | Name: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile | Formula: | C22 H23 Cl N6 O | SMILES: | N#Cc1cccc(c1)c1c2c([NH]c1Cl)ncnc2N1CC2(CCN(C)CC2)OCC1 | InChi: | InChI=1S/C22H23ClN6O/c1-28-7-5-22(6-8-28)13-29(9-10-30-22)21-18-17(16-4-2-3-15(11-16)12-24)19(23)27-20(18)25-14-26-21/h2-4,11,14H,5-10,13H2,1H3,(H,25,26,27) | Definition date: | 2022-12-14 | Last modified: | 2023-03-31 | Release date: | 2023-04-05 | Identifier: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile |
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| QQ0 | Name: | 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide | Formula: | C10 H13 N O3 S2 | SMILES: | CN(CCS)[S](=O)(=O)c1ccc(C=O)cc1 | InChi: | InChI=1S/C10H13NO3S2/c1-11(6-7-15)16(13,14)10-4-2-9(8-12)3-5-10/h2-5,8,15H,6-7H2,1H3 | Definition date: | 2022-11-10 | Last modified: | 2023-03-24 | Release date: | 2023-03-29 | Identifier: | 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide |
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| OE3 | Name: | ~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide | Formula: | C19 H20 N2 O3 S | SMILES: | CCN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12 | InChi: | InChI=1S/C19H20N2O3S/c1-3-21-18-10-9-15(12-17(18)14(2)11-19(21)22)13-20-25(23,24)16-7-5-4-6-8-16/h4-12,20H,3,13H2,1-2H3 | Definition date: | 2022-09-06 | Last modified: | 2023-03-17 | Release date: | 2023-03-22 | Identifier: | ~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide |
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| Y5B | Name: | N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide | Formula: | C28 H21 F6 N O3 S | SMILES: | O=S(=O)(N(Cc1ccc(cc1)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 | InChi: | InChI=1S/C28H21F6NO3S/c29-27(30,31)26(36,28(32,33)34)23-15-17-24(18-16-23)35(39(37,38)25-9-5-2-6-10-25)19-20-11-13-22(14-12-20)21-7-3-1-4-8-21/h1-18,36H,19H2 | Definition date: | 2023-01-05 | Last modified: | 2023-03-10 | Release date: | 2023-03-15 | Identifier: | N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide |
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| WQB | Name: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide | Formula: | C21 H23 F6 N O3 S | SMILES: | O=S(=O)(N(CCCCCC)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 | InChi: | InChI=1S/C21H23F6NO3S/c1-2-3-4-8-15-28(32(30,31)18-9-6-5-7-10-18)17-13-11-16(12-14-17)19(29,20(22,23)24)21(25,26)27/h5-7,9-14,29H,2-4,8,15H2,1H3 | Definition date: | 2022-10-12 | Last modified: | 2023-03-10 | Release date: | 2023-03-15 | Identifier: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide |
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| LE8 | Name: | 2-chloro-4-({5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl}amino)benzonitrile | Formula: | C17 H10 Cl F2 N3 O | SMILES: | Fc1cccc(F)c1Cc1cnc(Nc2cc(Cl)c(C#N)cc2)o1 | InChi: | InChI=1S/C17H10ClF2N3O/c18-14-6-11(5-4-10(14)8-21)23-17-22-9-12(24-17)7-13-15(19)2-1-3-16(13)20/h1-6,9H,7H2,(H,22,23) | Definition date: | 2022-03-04 | Last modified: | 2023-03-10 | Release date: | 2023-03-15 | Identifier: | 2-chloro-4-({5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl}amino)benzonitrile |
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| M63 | Name: | (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide | Formula: | C42 H49 Cl N8 O6 S | SMILES: | NCc1ccc(cc1)CNC(=O)C1Cc2ccc(NC(=O)CCN3CCN(CCC(=O)Nc4ccc(CC(NS(=O)(=O)c5cccc(Cl)c5)C(=O)N1)cc4)CC3)cc2 | InChi: | InChI=1S/C42H49ClN8O6S/c43-33-2-1-3-36(26-33)58(56,57)49-38-25-30-10-14-35(15-11-30)47-40(53)17-19-51-22-20-50(21-23-51)18-16-39(52)46-34-12-8-29(9-13-34)24-37(48-42(38)55)41(54)45-28-32-6-4-31(27-44)5-7-32/h1-15,26,37-38,49H,16-25,27-28,44H2,(H,45,54)(H,46,52)(H,47,53)(H,48,55)/t37-,38+/m0/s1 | Definition date: | 2022-03-14 | Last modified: | 2023-03-10 | Release date: | 2023-03-15 | Identifier: | (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide |
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| UKR | Name: | 1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid | Formula: | C31 H40 F2 N2 O4 S | SMILES: | Fc1ccc(cc1)S(=O)(=O)CCC1CCN(CC1)CC1CN(CC2(CCCC2)C(=O)O)CC1c1cccc(F)c1 | InChi: | InChI=1S/C31H40F2N2O4S/c32-26-6-8-28(9-7-26)40(38,39)17-12-23-10-15-34(16-11-23)19-25-20-35(22-31(30(36)37)13-1-2-14-31)21-29(25)24-4-3-5-27(33)18-24/h3-9,18,23,25,29H,1-2,10-17,19-22H2,(H,36,37)/t25-,29+/m0/s1 | Definition date: | 2022-08-22 | Last modified: | 2023-03-03 | Release date: | 2023-03-08 | Identifier: | 1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid |
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| NZR | Name: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide | Formula: | C14 H13 N5 O2 S | SMILES: | Cc1ccc(cc1)c1cccc(c1c1n[NH]nn1)S(N)(=O)=O | InChi: | InChI=1S/C14H13N5O2S/c1-9-5-7-10(8-6-9)11-3-2-4-12(22(15,20)21)13(11)14-16-18-19-17-14/h2-8H,1H3,(H2,15,20,21)(H,16,17,18,19) | Definition date: | 2022-04-14 | Last modified: | 2023-03-03 | Release date: | 2023-03-08 | Identifier: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
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| O0F | Name: | (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide | Formula: | C7 H9 N7 O4 S2 | SMILES: | NS(=O)(=O)c1cc(c(cc1N)c1n[NH]nn1)S(N)(=O)=O | InChi: | InChI=1S/C7H9N7O4S2/c8-4-1-3(7-11-13-14-12-7)5(19(9,15)16)2-6(4)20(10,17)18/h1-2H,8H2,(H2,9,15,16)(H2,10,17,18)(H,11,12,13,14) | Definition date: | 2022-04-14 | Last modified: | 2023-03-03 | Release date: | 2023-03-08 | Identifier: | (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide |
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