N-(2-ethyl-6-methyl-phenyl)-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(2-ethyl-6-methylphenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C)C

InChI

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