| E50 | Name: | 2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide | Formula: | C14 H14 Cl N3 O3 S2 | SMILES: | O=S(=O)(N)c2c(Cl)ccc(C(=O)CSc1ncc(cn1)CC)c2 | InChi: | InChI=1S/C14H14ClN3O3S2/c1-2-9-6-17-14(18-7-9)22-8-12(19)10-3-4-11(15)13(5-10)23(16,20)21/h3-7H,2,8H2,1H3,(H2,16,20,21) | Definition date: | 2011-06-10 | Last modified: | 2012-04-06 | Identifier: | 2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide |
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| E59 | Name: | 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide | Formula: | C13 H13 N3 O4 S2 | SMILES: | O=C2C=C(N=C(SCC(=O)c1ccc(cc1)S(=O)(=O)N)N2)C | InChi: | InChI=1S/C13H13N3O4S2/c1-8-6-12(18)16-13(15-8)21-7-11(17)9-2-4-10(5-3-9)22(14,19)20/h2-6H,7H2,1H3,(H2,14,19,20)(H,15,16,18) | Definition date: | 2011-06-08 | Last modified: | 2012-04-06 | Identifier: | 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide |
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| E65 | Name: | 4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide | Formula: | C14 H15 N3 O3 S2 | SMILES: | O=S(=O)(N)c2ccc(C(=O)CSc1nc(cc(n1)C)C)cc2 | InChi: | InChI=1S/C14H15N3O3S2/c1-9-7-10(2)17-14(16-9)21-8-13(18)11-3-5-12(6-4-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20) | Definition date: | 2011-06-10 | Last modified: | 2012-04-06 | Identifier: | 4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide |
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| E90 | Name: | 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | Formula: | C12 H11 N3 O3 S2 | SMILES: | O=S(=O)(N)c2ccc(C(=O)CSc1ncccn1)cc2 | InChi: | InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18) | Definition date: | 2011-06-10 | Last modified: | 2012-04-06 | Identifier: | 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide |
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| 0FZ | Name: | 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide | Formula: | C16 H16 N2 O3 S | SMILES: | O=S(=O)(N)c3ccc(C1=NCCc2cc(OC)ccc12)cc3 | InChi: | InChI=1S/C16H16N2O3S/c1-21-13-4-7-15-12(10-13)8-9-18-16(15)11-2-5-14(6-3-11)22(17,19)20/h2-7,10H,8-9H2,1H3,(H2,17,19,20) | Definition date: | 2012-01-05 | Last modified: | 2012-03-30 | Identifier: | 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide |
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| 0KS | Name: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide | Formula: | C16 H13 F6 N O3 S | SMILES: | O=S(=O)(N(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C)c2ccccc2 | InChi: | InChI=1S/C16H13F6NO3S/c1-23(27(25,26)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(24,15(17,18)19)16(20,21)22/h2-10,24H,1H3 | Definition date: | 2012-02-06 | Last modified: | 2012-03-16 | Identifier: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide |
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| 0KT | Name: | N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide | Formula: | C22 H23 F3 N2 O4 S | SMILES: | O=S(=O)(c1ccccc1)N(c2ccc(cc2)C(O)(c3cccn3CCOC)C(F)(F)F)C | InChi: | InChI=1S/C22H23F3N2O4S/c1-26(32(29,30)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(28,22(23,24)25)20-9-6-14-27(20)15-16-31-2/h3-14,28H,15-16H2,1-2H3/t21-/m0/s1 | Definition date: | 2012-02-06 | Last modified: | 2012-03-16 | Identifier: | N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide |
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| MSY | Name: | 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide | Formula: | C10 H11 N3 O3 S | SMILES: | O=S(=O)(c1cccc(c1)N2N=C(CC2=O)C)N | InChi: | InChI=1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16) | Definition date: | 2011-04-01 | Last modified: | 2012-03-16 | Identifier: | 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide |
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| XTZ | Name: | 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide | Formula: | C16 H16 N8 O3 S2 | SMILES: | O=S(=O)(Nc1nccs1)c4ccc(NCC3=NC2=C(N=C(N)NC2=O)NC3)cc4 | InChi: | InChI=1S/C16H16N8O3S2/c17-15-22-13-12(14(25)23-15)21-10(8-20-13)7-19-9-1-3-11(4-2-9)29(26,27)24-16-18-5-6-28-16/h1-6,19H,7-8H2,(H,18,24)(H4,17,20,22,23,25) | Definition date: | 2011-10-14 | Last modified: | 2012-03-09 | Identifier: | 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide |
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| UWN | Name: | [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} | Formula: | C32 H43 N5 O2 | SMILES: | O=C(N2CCC(N1CCCC1)CC2)c4ccc(c(Nc3ccccc3)c4)C(=O)N6CCC(N5CCCC5)CC6 | InChi: | InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2 | Definition date: | 2011-12-05 | Last modified: | 2012-03-02 | Identifier: | [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} |
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| IE2 | Name: | 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide | Formula: | C16 H14 N4 O2 S2 | SMILES: | O=S(=O)(N)c4ccc(n3ncc2c3c1c(nc(cc1)C)SC2)cc4 | InChi: | InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22) | Definition date: | 2011-03-10 | Last modified: | 2012-03-02 | Identifier: | 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide |
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| RCS | Name: | triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(I) | Formula: | C16 H13 N2 O6 Re S | SMILES: | N[S](=O)(=O)c1ccc(CNC(=O)C23[Re]|4|5|6(|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|C(=C2|4)C|5=C3|6)cc1 | InChi: | InChI=1S/C13H13N2O3S.3CO.Re/c14-19(17,18)12-7-5-10(6-8-12)9-15-13(16)11-3-1-2-4-11 | Definition date: | 2011-04-26 | Last modified: | 2012-02-24 |
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| ZBR | Name: | 1,3,5-tris(bromomethyl)benzene | Formula: | C9 H9 Br3 | SMILES: | BrCc1cc(cc(c1)CBr)CBr | InChi: | InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2 | Definition date: | 2011-02-16 | Last modified: | 2012-02-10 | Identifier: | 1,3,5-tris(bromomethyl)benzene |
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| NIN | Name: | DINITROPHENYLENE | Formula: | C6 H4 N2 O4 | SMILES: | O=[N+]([O-])c1cccc([N+]([O-])=O)c1 | InChi: | InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H | Definition date: | 2001-01-26 | Last modified: | 2012-01-25 | Identifier: | 1,3-dinitrobenzene |
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| 00T | Name: | (4-chlorobenzene-1,2-diyl)dimethanamine | Formula: | C8 H11 Cl N2 | SMILES: | Clc1cc(c(cc1)CN)CN | InChi: | InChI=1S/C8H11ClN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H,4-5,10-11H2 | Definition date: | 2010-11-12 | Last modified: | 2012-01-13 | Identifier: | (4-chlorobenzene-1,2-diyl)dimethanamine |
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| 025 | Name: | 3-(trifluoromethyl)benzenesulfonic acid | Formula: | C7 H5 F3 O3 S | SMILES: | FC(F)(F)c1cc(ccc1)S(=O)(=O)O | InChi: | InChI=1S/C7H5F3O3S/c8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h1-4H,(H,11,12,13) | Definition date: | 2011-02-25 | Last modified: | 2012-01-13 | Identifier: | 3-(trifluoromethyl)benzenesulfonic acid |
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| 02B | Name: | 4-methoxy-2,3,6-trimethylbenzenesulfonic acid | Formula: | C10 H14 O4 S | SMILES: | O=S(=O)(O)c1c(c(c(OC)cc1C)C)C | InChi: | InChI=1S/C10H14O4S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3,(H,11,12,13) | Definition date: | 2011-02-25 | Last modified: | 2012-01-13 | Identifier: | 4-methoxy-2,3,6-trimethylbenzenesulfonic acid |
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| 4OS | Name: | 4-methoxybenzenesulfonic acid | Formula: | C7 H8 O4 S | SMILES: | O=S(=O)(O)c1ccc(OC)cc1 | InChi: | InChI=1S/C7H8O4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H,8,9,10) | Definition date: | 2011-06-06 | Last modified: | 2012-01-13 | Identifier: | 4-methoxybenzenesulfonic acid |
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| TOS | Name: | P-SULFINOTOLUENE | Formula: | C7 H8 O2 S | SMILES: | O=S(O)c1ccc(cc1)C | InChi: | InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9) | Definition date: | 1999-07-08 | Last modified: | 2012-01-05 | Identifier: | 4-methylbenzenesulfinic acid |
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| 5X | Name: | 5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE | Formula: | C19 H18 N2 O3 S3 | SMILES: | O=S(=O)(NN1C(=O)C(SC1=S)CC(=Cc2ccccc2)C)c3ccccc3 | InChi: | InChI=1S/C19H18N2O3S3/c1-14(12-15-8-4-2-5-9-15)13-17-18(22)21(19(25)26-17)20-27(23,24)16-10-6-3-7-11-16/h2-12,17,20H,13H2,1H3/b14-12+/t17-/m1/s1 | Definition date: | 2005-09-22 | Last modified: | 2012-01-05 | Identifier: | N-{(5R)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzenesulfonamide |
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| 12T | Name: | 2-aminobenzene-1,4-dicarboxylic acid | Formula: | C8 H7 N O4 | SMILES: | O=C(O)c1cc(N)c(C(=O)O)cc1 | InChi: | InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13) | Definition date: | 2010-12-14 | Last modified: | 2011-12-30 | Identifier: | 2-aminobenzene-1,4-dicarboxylic acid |
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| 3TD | Name: | (1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol | Formula: | C10 H15 N2 O9 P | SMILES: | O=C1NC=C(C(=O)N1C)C2OC(COP(=O)(O)O)C(O)C2O | InChi: | InChI=1S/C10H15N2O9P/c1-12-9(15)4(2-11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1 | Definition date: | 2011-01-18 | Last modified: | 2011-12-14 | Identifier: | (1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol |
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| LXV | Name: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide | Formula: | C12 H15 Br2 N3 O2 S | SMILES: | Brc1cc(c(Br)cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C | InChi: | InChI=1S/C12H15Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,7-8,10,15-16H,4,6H2,1H3/b15-7+/t8-,10+/m0/s1 | Definition date: | 2010-11-02 | Last modified: | 2011-10-21 | Identifier: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide |
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| M06 | Name: | 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile | Formula: | C20 H14 Cl N5 O2 | SMILES: | N#Cc4cc(OC1=C(C=CN(C1=O)Cc2c3cccnc3nn2)C)cc(Cl)c4 | InChi: | InChI=1S/C20H14ClN5O2/c1-12-4-6-26(11-17-16-3-2-5-23-19(16)25-24-17)20(27)18(12)28-15-8-13(10-22)7-14(21)9-15/h2-9H,11H2,1H3,(H,23,24,25) | Definition date: | 2011-08-09 | Last modified: | 2011-10-21 | Identifier: | 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile |
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| YJW | Name: | 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL | Formula: | C16 H13 N O3 | SMILES: | Oc3cc(O)c(c1noc(c1c2ccccc2)C)cc3 | InChi: | InChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(17-20-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3 | Definition date: | 2011-05-24 | Last modified: | 2011-10-14 | Identifier: | 4-(5-methyl-4-phenylisoxazol-3-yl)benzene-1,3-diol |
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