ethyl 2-ethyl-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[3-[methyl(p-tolyl)sulfamoyl]benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[[3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[[3-[methyl(p-tolyl)sulfamoyl]benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=C(C=C4)C)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C4=CC=C(C=C4)C)C(=O)OCC

InChI

InChI=1S/C29H30N4O5S/c1-5-23-26(29(35)38-6-2)27(31-25-13-8-7-12-24(25)30-23)32-28(34)20-10-9-11-22(18-20)39(36,37)33(4)21-16-14-19(3)15-17-21/h7-18,30H,5-6H2,1-4H3,(H,31,32,34)