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

Systemtic Name: N-(2-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(o-tolyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(2-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(2-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-(o-tolyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C16H16N2O3S2/c1-11-4-2-3-5-13(11)18-23(20,21)12-6-7-15-14(10-12)17-16(19)8-9-22-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)