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

Systemtic Name: 1-(2-methoxyphenyl)carbonyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-(2-methoxybenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)-oxomethyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-(2-methoxybenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-o-anisoyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C25H24N2O7S/c1-33-18-11-13-19(14-12-18)35(31,32)27-15-17-7-3-5-9-21(17)26(16-22(27)25(29)30)24(28)20-8-4-6-10-23(20)34-2/h3-14,22H,15-16H2,1-2H3,(H,29,30)