4-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-tosyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C24H24N2O7S2 MolecularWeight: 516.58656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C24H24N2O7S2/c1-17-7-11-20(12-8-17)35(31,32)26-16-23(24(27)28)25(15-18-5-3-4-6-22(18)26)34(29,30)21-13-9-19(33-2)10-14-21/h3-14,23H,15-16H2,1-2H3,(H,27,28)