methyl 1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C25H26N2O8S2 MolecularWeight: 546.61254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)OC

InChI

InChI=1S/C25H26N2O8S2/c1-33-19-8-12-21(13-9-19)36(29,30)26-16-18-6-4-5-7-23(18)27(17-24(26)25(28)35-3)37(31,32)22-14-10-20(34-2)11-15-22/h4-15,24H,16-17H2,1-3H3