ethyl 4-[(4-chlorophenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[(4-chlorophenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(4-chlorophenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4S/c1-3-27-19(24)17-12(2)21-15-6-4-5-7-16(15)22-18(17)23-28(25,26)14-10-8-13(20)9-11-14/h4-11,21H,3H2,1-2H3,(H,22,23)