N-[(4-ethoxyphenyl)methyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[(4-ethoxyphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[(4-ethoxyphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(4-ethoxybenzyl)-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

InChI

InChI=1S/C19H22N2O4S2/c1-3-25-15-6-4-14(5-7-15)12-20-27(23,24)16-8-9-18-17(11-16)21-19(22)10-13(2)26-18/h4-9,11,13,20H,3,10,12H2,1-2H3,(H,21,22)