 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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) |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
