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

Systemtic Name: N-(2-ethylphenyl)-N,2-dimethyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(2-ethylphenyl)-N,2-dimethyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(2-ethylphenyl)-N,2-dimethyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(2-ethylphenyl)-N,2-dimethyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(2-ethylphenyl)-4-keto-N,2-dimethyl-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=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

Isomeric SMILES

CCC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

InChI

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