methyl 1-(4-chloranyl-2-methoxy-phenyl)carbonyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-(4-chloranyl-2-methoxy-phenyl)carbonyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(4-chloro-2-methoxy-benzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(4-chloro-2-methoxyphenyl)-oxomethyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-chloro-2-methoxybenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(4-chloro-2-methoxy-benzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C26H25ClN2O7S MolecularWeight: 545.0039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN2O7S/c1-34-19-9-11-20(12-10-19)37(32,33)29-15-17-6-4-5-7-22(17)28(16-23(29)26(31)36-3)25(30)21-13-8-18(27)14-24(21)35-2/h4-14,23H,15-16H2,1-3H3