 | | Q8Z | | Name: | ~{N}-methoxy-~{N}-methyl-benzenesulfonamide | | Formula: | C8 H11 N O3 S | | SMILES: | CON(C)[S](=O)(=O)c1ccccc1 | | InChi: | InChI=1S/C8H11NO3S/c1-9(12-2)13(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3 | | Definition date: | 2022-10-17 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | ~{N}-methoxy-~{N}-methyl-benzenesulfonamide |
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 | | Q96 | | Name: | 3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide | | Formula: | C8 H13 N3 O2 S | | SMILES: | CNc1ccc(cc1N)[S](=O)(=O)NC | | InChi: | InChI=1S/C8H13N3O2S/c1-10-8-4-3-6(5-7(8)9)14(12,13)11-2/h3-5,10-11H,9H2,1-2H3 | | Definition date: | 2022-10-17 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | 3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide |
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 | | Q9I | | Name: | 4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide | | Formula: | C8 H10 Cl N O3 S | | SMILES: | CON(C)[S](=O)(=O)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C8H10ClNO3S/c1-10(13-2)14(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3 | | Definition date: | 2022-10-17 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | 4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide |
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 | | QAU | | Name: | 3-oxidanylbenzenesulfonamide | | Formula: | C6 H7 N O3 S | | SMILES: | N[S](=O)(=O)c1cccc(O)c1 | | InChi: | InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4,8H,(H2,7,9,10) | | Definition date: | 2022-10-17 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | 3-oxidanylbenzenesulfonamide |
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 | | QB6 | | Name: | 3-azanyl-4-oxidanyl-benzenesulfonamide | | Formula: | C6 H8 N2 O3 S | | SMILES: | Nc1cc(ccc1O)[S](N)(=O)=O | | InChi: | InChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11) | | Definition date: | 2022-10-17 | | Last modified: | 2023-03-03 | | Release date: | 2023-03-08 | | Identifier: | 3-azanyl-4-oxidanyl-benzenesulfonamide |
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 | | XNR | | Name: | N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide | | Formula: | C25 H31 F2 N3 O3 S | | SMILES: | Fc1ccc(cc1)S(=O)(=O)Nc1cc(F)cc(CN2CC(C)N(CC2)C(=O)C2CCCC2)c1C | | InChi: | InChI=1S/C25H31F2N3O3S/c1-17-15-29(11-12-30(17)25(31)19-5-3-4-6-19)16-20-13-22(27)14-24(18(20)2)28-34(32,33)23-9-7-21(26)8-10-23/h7-10,13-14,17,19,28H,3-6,11-12,15-16H2,1-2H3/t17-/m0/s1 | | Definition date: | 2022-11-30 | | Last modified: | 2023-02-24 | | Release date: | 2023-03-01 | | Identifier: | N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide |
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 | | WFB | | Name: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide) | | Formula: | C21 H18 N6 | | SMILES: | N=C(N)c1ccc(cc1)c1ccc2nc([NH]c2c1)c1ccc(cc1)C(=N)N | | InChi: | InChI=1S/C21H18N6/c22-19(23)13-3-1-12(2-4-13)16-9-10-17-18(11-16)27-21(26-17)15-7-5-14(6-8-15)20(24)25/h1-11H,(H3,22,23)(H3,24,25)(H,26,27) | | Definition date: | 2022-09-06 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide) |
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 | | WQZ | | Name: | (3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile | | Formula: | C25 H29 N3 O6 | | SMILES: | OCC1C(O)C(O)C(O)CN1Cc1cccc(c1)CNc1cc(cc(C#N)c1)C1=COCCO1 | | InChi: | InChI=1S/C25H29N3O6/c26-10-18-7-19(23-15-33-4-5-34-23)9-20(8-18)27-11-16-2-1-3-17(6-16)12-28-13-22(30)25(32)24(31)21(28)14-29/h1-3,6-9,15,21-22,24-25,27,29-32H,4-5,11-14H2/t21-,22+,24-,25-/m1/s1 | | Definition date: | 2022-10-14 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile |
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 | | 884 | | Name: | 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide | | Formula: | C22 H19 N5 | | SMILES: | [N@H]=C(N)c4ccc(c1ccc2c(c1)nc(c2)c3ccc(C(=[N@H])N)cc3)cc4 | | InChi: | InChI=1S/C22H19N5/c23-21(24)15-5-1-13(2-6-15)17-9-10-18-12-19(27-20(18)11-17)14-3-7-16(8-4-14)22(25)26/h1-12,27H,(H3,23,24)(H3,25,26) | | Definition date: | 2011-04-26 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide |
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 | | IH0 | | Name: | [(S)-methylsulfinyl]benzene | | Formula: | C7 H8 O S | | SMILES: | C[S](=O)c1ccccc1 | | InChi: | InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1 | | Synonyms: | (S)-methyl phenylsulfoxide | | Definition date: | 2022-03-21 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | [(~{S})-methylsulfinyl]benzene |
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 | | IKF | | Name: | phenylsulfinylmethylbenzene | | Formula: | C13 H12 O S | | SMILES: | O=[S](Cc1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/t15-/m0/s1 | | Definition date: | 2022-03-28 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | phenylsulfinylmethylbenzene |
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 | | X7H | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | | Formula: | C29 H38 Cl N3 O8 S | | SMILES: | ClCC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12 | | InChi: | InChI=1S/C29H38ClN3O8S/c1-19(2)16-33(42(37,38)22-10-8-21(9-11-22)31-27(35)15-30)17-25(34)24(14-20-6-4-3-5-7-20)32-29(36)41-26-18-40-28-23(26)12-13-39-28/h3-11,19,23-26,28,34H,12-18H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-,25+,26-,28+/m0/s1 | | Definition date: | 2022-11-03 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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 | | EUA | | Name: | (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(benzenesulfonyl)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 H50 N8 O6 S | | SMILES: | NCc1ccc(cc1)CNC(=O)C1Cc2ccc(NC(=O)CCN3CCN(CCC(=O)Nc4ccc(CC(NS(=O)(=O)c5ccccc5)C(=O)N1)cc4)CC3)cc2 | | InChi: | InChI=1S/C42H50N8O6S/c43-28-32-6-8-33(9-7-32)29-44-41(53)37-26-30-10-14-34(15-11-30)45-39(51)18-20-49-22-24-50(25-23-49)21-19-40(52)46-35-16-12-31(13-17-35)27-38(42(54)47-37)48-57(55,56)36-4-2-1-3-5-36/h1-17,37-38,48H,18-29,43H2,(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t37-,38+/m0/s1 | | Definition date: | 2021-12-13 | | Last modified: | 2023-02-03 | | Release date: | 2023-02-08 | | Identifier: | (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(benzenesulfonyl)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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 | | GGI | | Name: | (5S,8R,18S,21R)-N-{[4-(aminomethyl)phenyl]methyl}-21-[(benzenesulfonyl)amino]-3,11,20-trioxo-2,5,8,12,19-pentaazatetracyclo[21.2.2.2~5,8~.2~13,16~]hentriaconta-1(25),13,15,23,26,28-hexaene-18-carboxamide | | Formula: | C41 H48 N8 O6 S | | SMILES: | NCc1ccc(cc1)CNC(=O)C1NC(=O)C(NS(=O)(=O)c2ccccc2)Cc2ccc(NC(=O)CN3CCN(CCC(=O)Nc4ccc(C1)cc4)CC3)cc2 | | InChi: | InChI=1S/C41H48N8O6S/c42-26-31-6-8-32(9-7-31)27-43-40(52)36-24-29-10-14-33(15-11-29)44-38(50)18-19-48-20-22-49(23-21-48)28-39(51)45-34-16-12-30(13-17-34)25-37(41(53)46-36)47-56(54,55)35-4-2-1-3-5-35/h1-17,36-37,47H,18-28,42H2,(H,43,52)(H,44,50)(H,45,51)(H,46,53)/t36-,37+/m0/s1 | | Definition date: | 2021-12-21 | | Last modified: | 2023-02-03 | | Release date: | 2023-02-08 | | Identifier: | (5S,8R,18S,21R)-N-{[4-(aminomethyl)phenyl]methyl}-21-[(benzenesulfonyl)amino]-3,11,20-trioxo-2,5,8,12,19-pentaazatetracyclo[21.2.2.2~5,8~.2~13,16~]hentriaconta-1(25),13,15,23,26,28-hexaene-18-carboxamide |
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 | | YO9 | | Name: | 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile | | Formula: | C23 H17 N7 O | | SMILES: | N#Cc1ccc(cc1)Nc1ncc2NC(=O)N(c2n1)c1c(C)cc(C=CC#N)cc1C | | InChi: | InChI=1S/C23H17N7O/c1-14-10-17(4-3-9-24)11-15(2)20(14)30-21-19(28-23(30)31)13-26-22(29-21)27-18-7-5-16(12-25)6-8-18/h3-8,10-11,13H,1-2H3,(H,28,31)(H,26,27,29)/b4-3+ | | Definition date: | 2022-12-06 | | Last modified: | 2023-01-27 | | Release date: | 2023-02-01 | | Identifier: | 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile |
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 | | XRL | | Name: | 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile | | Formula: | C25 H21 N7 O | | SMILES: | N#Cc1ccc(cc1)Nc1nc2c(NC(=O)CCN2c2c(C)cc(C=CC#N)cc2C)cn1 | | InChi: | InChI=1S/C25H21N7O/c1-16-12-19(4-3-10-26)13-17(2)23(16)32-11-9-22(33)30-21-15-28-25(31-24(21)32)29-20-7-5-18(14-27)6-8-20/h3-8,12-13,15H,9,11H2,1-2H3,(H,30,33)(H,28,29,31)/b4-3+ | | Definition date: | 2022-12-06 | | Last modified: | 2023-01-27 | | Release date: | 2023-02-01 | | Identifier: | 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile |
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 | | ZJ2 | | Name: | 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile | | Formula: | C24 H19 N7 O | | SMILES: | N#Cc1ccc(cc1)Nc1ncc2NC(=O)CN(c2n1)c1c(C)cc(C=CC#N)cc1C | | InChi: | InChI=1S/C24H19N7O/c1-15-10-18(4-3-9-25)11-16(2)22(15)31-14-21(32)29-20-13-27-24(30-23(20)31)28-19-7-5-17(12-26)6-8-19/h3-8,10-11,13H,14H2,1-2H3,(H,29,32)(H,27,28,30)/b4-3+ | | Definition date: | 2022-12-06 | | Last modified: | 2023-01-27 | | Release date: | 2023-02-01 | | Identifier: | 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile |
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 | | PKH | | Name: | ~{N}-[(1~{R},2~{R},4~{S},7~{E})-7-[azanyl(sulfanyl)methylidene]-7$l^{4}-azabicyclo[2.2.1]heptan-2-yl]-2-chloranyl-4-(6-cyclopropylpyrazin-2-yl)benzamide | | Formula: | C21 H23 Cl N5 O S | | SMILES: | N/C(S)=[N+]1/C2CC(NC(=O)c3ccc(cc3Cl)c3cncc(n3)C3CC3)C1CC2 | | InChi: | InChI=1S/C21H22ClN5OS/c22-15-7-12(18-10-24-9-17(25-18)11-1-2-11)3-5-14(15)20(28)26-16-8-13-4-6-19(16)27(13)21(23)29/h3,5,7,9-11,13,16,19H,1-2,4,6,8H2,(H3,23,26,28,29)/p+1/t13-,16+,19+/m0/s1 | | Definition date: | 2022-05-26 | | Last modified: | 2023-01-27 | | Release date: | 2023-02-01 | | Identifier: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(4M)-2-chloro-4-(6-cyclopropylpyrazin-2-yl)benzene-1-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium |
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 | | S5N | | Name: | N-((1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)methyl)benzenesulfonamide | | Formula: | C18 H18 N2 O3 S | | SMILES: | CN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12 | | InChi: | InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-14(11-16(13)17)12-19-24(22,23)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3 | | Synonyms: | ~{N}-[(1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide | | Definition date: | 2020-11-08 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | ~{N}-[(1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide |
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 | | E6H | | Name: | 3-methylbenzoselenoate | | Formula: | C8 H8 O Se | | SMILES: | Cc1cccc(c1)C([SeH])=O | | InChi: | InChI=1S/C8H8OSe/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) | | Definition date: | 2022-01-04 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 3-methylbenzenecarboselenoic Se-acid |
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 | | E7I | | Name: | benzoselenoate | | Formula: | C7 H6 O Se | | SMILES: | [SeH]C(=O)c1ccccc1 | | InChi: | InChI=1S/C7H6OSe/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | | Definition date: | 2022-01-04 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | benzenecarboselenoic Se-acid |
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 | | EIQ | | Name: | ~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide | | Formula: | C18 H16 N2 O2 S | | SMILES: | O=[S](=O)(Nc1ccc(Cc2ccncc2)cc1)c3ccccc3 | | InChi: | InChI=1S/C18H16N2O2S/c21-23(22,18-4-2-1-3-5-18)20-17-8-6-15(7-9-17)14-16-10-12-19-13-11-16/h1-13,20H,14H2 | | Definition date: | 2022-01-07 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | ~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide |
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 | | I5Y | | Name: | (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide | | Formula: | C43 H52 N8 O6 S | | SMILES: | NCc1ccc(cc1)CNC(=O)C1Cc2ccc(NC(=O)CCN3CCN(CCCC(=O)Nc4ccc(CC(NS(=O)(=O)c5ccccc5)C(=O)N1)cc4)CC3)cc2 | | InChi: | InChI=1S/C43H52N8O6S/c44-29-33-8-10-34(11-9-33)30-45-42(54)38-27-31-12-16-36(17-13-31)47-41(53)20-22-51-25-23-50(24-26-51)21-4-7-40(52)46-35-18-14-32(15-19-35)28-39(43(55)48-38)49-58(56,57)37-5-2-1-3-6-37/h1-3,5-6,8-19,38-39,49H,4,7,20-30,44H2,(H,45,54)(H,46,52)(H,47,53)(H,48,55)/t38-,39+/m0/s1 | | Definition date: | 2022-01-13 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide |
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 | | OY9 | | Name: | 3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile | | Formula: | C22 H19 Cl N4 O | | SMILES: | Clc1ccc(cc1)CN1C=NC=2CCN(Cc3cccc(C#N)c3)CC=2C1=O | | InChi: | InChI=1S/C22H19ClN4O/c23-19-6-4-16(5-7-19)13-27-15-25-21-8-9-26(14-20(21)22(27)28)12-18-3-1-2-17(10-18)11-24/h1-7,10,15H,8-9,12-14H2 | | Definition date: | 2022-05-19 | | Last modified: | 2023-01-06 | | Release date: | 2023-01-11 | | Identifier: | 3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile |
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 | | P3O | | Name: | 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile | | Formula: | C23 H21 Cl N4 O2 | | SMILES: | Clc1ccc(cc1)CN1C(=O)C=2CN(CCC=2N(C)C1=O)Cc1cccc(C#N)c1 | | InChi: | InChI=1S/C23H21ClN4O2/c1-26-21-9-10-27(13-18-4-2-3-17(11-18)12-25)15-20(21)22(29)28(23(26)30)14-16-5-7-19(24)8-6-16/h2-8,11H,9-10,13-15H2,1H3 | | Definition date: | 2022-05-24 | | Last modified: | 2023-01-06 | | Release date: | 2023-01-11 | | Identifier: | 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile |
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