ethyl 2-methyl-4-(phenylsulfonylamino)-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-(phenylsulfonylamino)-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-(benzenesulfonamido)-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-(benzenesulfonamido)-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonamido)-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-(benzenesulfonamido)-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H19N3O4S/c1-3-26-19(23)17-13(2)20-15-11-7-8-12-16(15)21-18(17)22-27(24,25)14-9-5-4-6-10-14/h4-12,20H,3H2,1-2H3,(H,21,22)