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

Systemtic Name: ethyl 2-methyl-4-[[3-[(phenylmethyl)sulfamoyl]phenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[3-(benzylsulfamoyl)benzoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-4-[[oxo-[3-[(phenylmethyl)sulfamoyl]phenyl]methyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(benzylsulfamoyl)benzoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[3-(benzylsulfamoyl)benzoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O5S/c1-3-36-27(33)24-18(2)29-22-14-7-8-15-23(22)30-25(24)31-26(32)20-12-9-13-21(16-20)37(34,35)28-17-19-10-5-4-6-11-19/h4-16,28-29H,3,17H2,1-2H3,(H,30,31,32)