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

Systemtic Name: N-ethyl-N-(3-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-ethyl-N-(m-tolyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-ethyl-N-(3-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-ethyl-N-(3-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-ethyl-4-keto-N-(m-tolyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H20N2O3S2 MolecularWeight: 376.493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H20N2O3S2/c1-3-20(14-6-4-5-13(2)11-14)25(22,23)15-7-8-17-16(12-15)19-18(21)9-10-24-17/h4-8,11-12H,3,9-10H2,1-2H3,(H,19,21)