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

Systemtic Name: methyl 1-(2,4-dimethoxyphenyl)carbonyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2,4-dimethoxybenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(2,4-dimethoxyphenyl)-oxomethyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2,4-dimethoxybenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2,4-dimethoxybenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C27H28N2O8S MolecularWeight: 540.58482

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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)OC)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)OC)OC

InChI

InChI=1S/C27H28N2O8S/c1-34-19-9-12-21(13-10-19)38(32,33)29-16-18-7-5-6-8-23(18)28(17-24(29)27(31)37-4)26(30)22-14-11-20(35-2)15-25(22)36-3/h5-15,24H,16-17H2,1-4H3