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

Systemtic Name: N-ethyl-2-methyl-N-(3-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-ethyl-2-methyl-N-(m-tolyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-ethyl-2-methyl-N-(3-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-ethyl-2-methyl-N-(3-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-ethyl-4-keto-2-methyl-N-(m-tolyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S2/c1-4-21(15-7-5-6-13(2)10-15)26(23,24)16-8-9-18-17(12-16)20-19(22)11-14(3)25-18/h5-10,12,14H,4,11H2,1-3H3,(H,20,22)