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

Systemtic Name: N-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(4-ethoxyphenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(4-ethoxyphenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(4-ethoxyphenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-3-methyl-N-p-phenetyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C

InChI

InChI=1S/C18H20N2O4S2/c1-3-24-14-6-4-13(5-7-14)20-26(22,23)15-8-9-17-16(10-15)19-18(21)12(2)11-25-17/h4-10,12,20H,3,11H2,1-2H3,(H,19,21)