N-(4-ethanoylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-(4-ethanoylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(4-acetylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(4-acetylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(4-acetylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(4-acetylphenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C17H16N2O4S2/c1-11(20)12-2-4-13(5-3-12)19-25(22,23)14-6-7-16-15(10-14)18-17(21)8-9-24-16/h2-7,10,19H,8-9H2,1H3,(H,18,21)