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

Systemtic Name: ethyl 2-ethyl-4-(phenylsulfonylamino)-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-(benzenesulfonamido)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-(benzenesulfonamido)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonamido)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-(benzenesulfonamido)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H21N3O4S/c1-3-15-18(20(24)27-4-2)19(22-17-13-9-8-12-16(17)21-15)23-28(25,26)14-10-6-5-7-11-14/h5-13,21H,3-4H2,1-2H3,(H,22,23)