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

Systemtic Name: ethyl 4-[(3-ethanoylphenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(3-acetylphenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[(3-acetylphenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-acetylphenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(3-acetylphenyl)sulfonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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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)C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-4-17-20(22(27)30-5-2)21(24-19-12-7-6-11-18(19)23-17)25-31(28,29)16-10-8-9-15(13-16)14(3)26/h6-13,23H,4-5H2,1-3H3,(H,24,25)