 | | WIF | | Name: | 3-[(2,4-dichloro-5-methylbenzene-1-sulfonyl)amino]thiophene-2-carboxamide | | Formula: | C12 H10 Cl2 N2 O3 S2 | | SMILES: | O=S(=O)(Nc1ccsc1C(N)=O)c1cc(C)c(Cl)cc1Cl | | InChi: | InChI=1S/C12H10Cl2N2O3S2/c1-6-4-10(8(14)5-7(6)13)21(18,19)16-9-2-3-20-11(9)12(15)17/h2-5,16H,1H3,(H2,15,17) | | Definition date: | 2023-05-12 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 3-[(2,4-dichloro-5-methylbenzene-1-sulfonyl)amino]thiophene-2-carboxamide |
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 | | 87B | | Name: | N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | | Formula: | C17 H17 N3 O2 S | | SMILES: | O=[S](=O)(Nc1ccc2[nH]c(nc2c1)C3CCC3)c4ccccc4 | | InChi: | InChI=1S/C17H17N3O2S/c21-23(22,14-7-2-1-3-8-14)20-13-9-10-15-16(11-13)19-17(18-15)12-5-4-6-12/h1-3,7-12,20H,4-6H2,(H,18,19) | | Definition date: | 2021-10-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | ~{N}-(2-cyclobutyl-1~{H}-benzimidazol-5-yl)benzenesulfonamide |
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 | | 0IF | | Name: | 2-amino-6-fluorobenzonitrile | | Formula: | C7 H5 F N2 | | SMILES: | N#Cc1c(F)cccc1N | | InChi: | InChI=1S/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2 | | Definition date: | 2021-06-09 | | Last modified: | 2023-05-31 | | Release date: | 2023-05-31 | | Identifier: | 2-amino-6-fluorobenzonitrile |
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 | | XKN | | Name: | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride | | Formula: | C30 H29 F N4 O4 S | | SMILES: | COc1ccccc1Cn1cnc2cc(ccc12)C(=O)N1CCN(Cc2cc(cc(C#C)c2)S(F)(=O)=O)CC1C | | InChi: | InChI=1S/C30H29FN4O4S/c1-4-22-13-23(15-26(14-22)40(31,37)38)18-33-11-12-35(21(2)17-33)30(36)24-9-10-28-27(16-24)32-20-34(28)19-25-7-5-6-8-29(25)39-3/h1,5-10,13-16,20-21H,11-12,17-19H2,2-3H3/t21-/m1/s1 | | Definition date: | 2022-11-23 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride |
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 | | U30 | | Name: | 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile | | Formula: | C23 H22 N8 O | | SMILES: | Cc1c(cccc1c2cc(nc(N)n2)c3cn(Cc4cccc(n4)C(C)(C)O)nn3)C#N | | InChi: | InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28) | | Definition date: | 2023-01-23 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile |
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 | | U43 | | Name: | N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine | | Formula: | C8 H9 F3 N2 | | SMILES: | Nc1cc(ccc1NC)C(F)(F)F | | InChi: | InChI=1S/C8H9F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4,13H,12H2,1H3 | | Definition date: | 2022-08-03 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine |
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 | | K7P | | Name: | 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide | | Formula: | C12 H17 N O7 S2 | | SMILES: | N[S](=O)(=O)c1ccc(S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1 | | InChi: | InChI=1S/C12H17NO7S2/c13-22(18,19)7-3-1-6(2-4-7)21-12-11(17)10(16)9(15)8(5-14)20-12/h1-4,8-12,14-17H,5H2,(H2,13,18,19)/t8-,9-,10+,11-,12+/m1/s1 | | Synonyms: | 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide | | Definition date: | 2022-05-19 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide |
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 | | H4I | | Name: | 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide | | Formula: | C23 H19 F5 N2 O4 S2 | | SMILES: | Fc1ccc(c(F)c1)[S](=O)(=O)Nc2ccc3CCCN(c3c2)[S](=O)(=O)Cc4ccc(cc4)C(F)(F)F | | InChi: | InChI=1S/C23H19F5N2O4S2/c24-18-8-10-22(20(25)12-18)36(33,34)29-19-9-5-16-2-1-11-30(21(16)13-19)35(31,32)14-15-3-6-17(7-4-15)23(26,27)28/h3-10,12-13,29H,1-2,11,14H2 | | Definition date: | 2022-05-20 | | Last modified: | 2023-05-26 | | Release date: | 2023-05-31 | | Identifier: | 2,4-bis(fluoranyl)-~{N}-[1-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-2~{H}-quinolin-7-yl]benzenesulfonamide |
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 | | X5O | | Name: | denifanstat | | Formula: | C27 H29 N5 O | | SMILES: | O=C(c1cc(c2nnc(C)[NH]2)c(cc1C)C1CCC1)N1CCC(CC1)c1ccc(C#N)cc1 | | InChi: | InChI=1S/C27H29N5O/c1-17-14-24(22-4-3-5-22)25(26-29-18(2)30-31-26)15-23(17)27(33)32-12-10-21(11-13-32)20-8-6-19(16-28)7-9-20/h6-9,14-15,21-22H,3-5,10-13H2,1-2H3,(H,29,30,31) | | Synonyms: | 4-{1-[(5M)-4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzene-1-carbonyl]piperidin-4-yl}benzonitrile | | Definition date: | 2022-10-28 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 4-{1-[(5M)-4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzene-1-carbonyl]piperidin-4-yl}benzonitrile |
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 | | Y4K | | Name: | 3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazinyl}benzene-1-sulfonamide | | Formula: | C15 H18 N4 O4 S | | SMILES: | O=S(N)(=O)c1cc(c(NNCC(C)c2ccccc2)cc1)N(=O)=O | | InChi: | InChI=1S/C15H18N4O4S/c1-11(12-5-3-2-4-6-12)10-17-18-14-8-7-13(24(16,22)23)9-15(14)19(20)21/h2-9,11,17-18H,10H2,1H3,(H2,16,22,23)/t11-/m1/s1 | | Definition date: | 2023-01-04 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazinyl}benzene-1-sulfonamide |
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 | | Y4U | | Name: | 1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one | | Formula: | C12 H11 N O3 S | | SMILES: | O=C(C)c1ccn(c1)S(=O)(=O)c1ccccc1 | | InChi: | InChI=1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3 | | Definition date: | 2023-01-04 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one |
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 | | Y9N | | Name: | N-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide | | Formula: | C38 H40 F2 N6 O5 S | | SMILES: | COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)c1cc(Nc2nc(ccn2)c2cccnc2)c(C)cc1 | | InChi: | InChI=1S/C38H40F2N6O5S/c1-24(2)22-46(52(49,50)32-11-9-31(51-4)10-12-32)23-36(47)35(18-26-16-29(39)20-30(40)17-26)43-37(48)27-8-7-25(3)34(19-27)45-38-42-15-13-33(44-38)28-6-5-14-41-21-28/h5-17,19-21,24,35-36,47H,18,22-23H2,1-4H3,(H,43,48)(H,42,44,45)/t35-,36+/m0/s1 | | Definition date: | 2023-01-18 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | N-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide |
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 | | Y9R | | Name: | N-{(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-4-methyl-3-{[(4P)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide | | Formula: | C37 H41 N7 O4 S | | SMILES: | Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)c1cc(Nc2nc(ccn2)c2cccnc2)c(C)cc1 | | InChi: | InChI=1S/C37H41N7O4S/c1-25(2)23-44(49(47,48)31-15-13-30(38)14-16-31)24-35(45)34(20-27-8-5-4-6-9-27)41-36(46)28-12-11-26(3)33(21-28)43-37-40-19-17-32(42-37)29-10-7-18-39-22-29/h4-19,21-22,25,34-35,45H,20,23-24,38H2,1-3H3,(H,41,46)(H,40,42,43)/t34-,35+/m0/s1 | | Definition date: | 2023-01-18 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | N-{(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-4-methyl-3-{[(4P)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide |
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 | | SXU | | Name: | 9-benzyl-1,5-bis(4-methylbenzene-1-sulfonyl)-3-methylidene-1,5,9-triazacyclododecane | | Formula: | C31 H39 N3 O4 S2 | | SMILES: | Cc1ccc(cc1)S(=O)(=O)N1CCCN(CCCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 | | InChi: | InChI=1S/C31H39N3O4S2/c1-26-11-15-30(16-12-26)39(35,36)33-21-7-19-32(25-29-9-5-4-6-10-29)20-8-22-34(24-28(3)23-33)40(37,38)31-17-13-27(2)14-18-31/h4-6,9-18H,3,7-8,19-25H2,1-2H3 | | Synonyms: | Cyclotriazadisulfonamide | | Definition date: | 2022-07-13 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 9-benzyl-1,5-bis(4-methylbenzene-1-sulfonyl)-3-methylidene-1,5,9-triazacyclododecane |
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 | | TT6 | | Name: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile | | Formula: | C12 H11 N3 S | | SMILES: | Cc1nc(N)sc1Cc2ccc(cc2)C#N | | InChi: | InChI=1S/C12H11N3S/c1-8-11(16-12(14)15-8)6-9-2-4-10(7-13)5-3-9/h2-5H,6H2,1H3,(H2,14,15) | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile |
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 | | OJR | | Name: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide | | Formula: | C24 H31 N7 O2 S | | SMILES: | NS(=O)(=O)c1c(ccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)CC1CCNCC1 | | InChi: | InChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31) | | Definition date: | 2022-05-09 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
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 | | OK0 | | Name: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide | | Formula: | C19 H19 F3 N6 O2 S | | SMILES: | FC(F)(F)c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1 | | InChi: | InChI=1S/C19H19F3N6O2S/c20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12/h1-6,12,24H,7-10H2,(H2,23,29,30)(H,25,26,27,28) | | Definition date: | 2022-05-09 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide |
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 | | OKC | | Name: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide | | Formula: | C18 H20 N6 O2 S | | SMILES: | NS(=O)(=O)c1cccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1 | | InChi: | InChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-2-15(17(16)18-21-23-24-22-18)14-6-4-12(5-7-14)13-8-10-20-11-9-13/h1-7,13,20H,8-11H2,(H2,19,25,26)(H,21,22,23,24) | | Definition date: | 2022-05-09 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
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 | | P5O | | Name: | 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol | | Formula: | C15 H14 O4 | | SMILES: | COc1cc(ccc1O)C=Cc2cc(O)cc(O)c2 | | InChi: | InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+ | | Definition date: | 2023-03-03 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol |
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 | | 7QF | | Name: | 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile | | Formula: | C17 H17 N3 O | | SMILES: | Nc1ccc(cc1C#N)c2cccc(c2)[CH]3CNCCO3 | | InChi: | InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-20-6-7-21-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1 | | Definition date: | 2021-08-19 | | Last modified: | 2023-05-15 | | Release date: | 2022-09-21 | | Identifier: | 2-azanyl-5-[3-[(2~{R})-morpholin-2-yl]phenyl]benzenecarbonitrile |
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 | | 7QI | | Name: | 2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile | | Formula: | C17 H17 N3 O | | SMILES: | Nc1ccc(cc1C#N)c2cccc(c2)[CH]3COCCN3 | | InChi: | InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-21-7-6-20-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1 | | Definition date: | 2021-08-19 | | Last modified: | 2023-05-15 | | Release date: | 2022-09-21 | | Identifier: | 2-azanyl-5-[3-[(3~{R})-morpholin-3-yl]phenyl]benzenecarbonitrile |
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 | | 7QL | | Name: | 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile | | Formula: | C19 H21 N3 O | | SMILES: | NCC1(CCOCC1)c2cccc(c2)c3ccc(N)c(c3)C#N | | InChi: | InChI=1S/C19H21N3O/c20-12-16-10-15(4-5-18(16)22)14-2-1-3-17(11-14)19(13-21)6-8-23-9-7-19/h1-5,10-11H,6-9,13,21-22H2 | | Definition date: | 2021-08-19 | | Last modified: | 2023-05-15 | | Release date: | 2022-09-21 | | Identifier: | 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile |
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 | | 7QR | | Name: | 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile | | Formula: | C13 H14 Cl N3 | | SMILES: | Nc1ccc(C=C2CCCNC2)c(Cl)c1C#N | | InChi: | InChI=1S/C13H14ClN3/c14-13-10(3-4-12(16)11(13)7-15)6-9-2-1-5-17-8-9/h3-4,6,17H,1-2,5,8,16H2/b9-6- | | Definition date: | 2021-08-19 | | Last modified: | 2023-05-15 | | Release date: | 2022-09-21 | | Identifier: | 6-azanyl-2-chloranyl-3-[(~{Z})-piperidin-3-ylidenemethyl]benzenecarbonitrile |
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 | | JKI | | Name: | 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide | | Formula: | C17 H13 Br N2 O2 S | | SMILES: | Brc1ccc(cc1)[S](=O)(=O)Nc2cccc(c2)c3ccccn3 | | InChi: | InChI=1S/C17H13BrN2O2S/c18-14-7-9-16(10-8-14)23(21,22)20-15-5-3-4-13(12-15)17-6-1-2-11-19-17/h1-12,20H | | Definition date: | 2022-05-04 | | Last modified: | 2023-05-12 | | Release date: | 2023-05-17 | | Identifier: | 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide |
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 | | 8DI | | Name: | N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide | | Formula: | C17 H16 F N3 O2 S | | SMILES: | Fc1ccccc1[S](=O)(=O)Nc2ccc3[nH]c(nc3c2)C4CCC4 | | InChi: | InChI=1S/C17H16FN3O2S/c18-13-6-1-2-7-16(13)24(22,23)21-12-8-9-14-15(10-12)20-17(19-14)11-4-3-5-11/h1-2,6-11,21H,3-5H2,(H,19,20) | | Synonyms: | N-(2-cyclobutyl-1H-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide | | Definition date: | 2021-10-08 | | Last modified: | 2023-05-12 | | Release date: | 2023-05-17 | | Identifier: | ~{N}-(2-cyclobutyl-1~{H}-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide |
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