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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S2/c1-4-28-19-8-6-16(13-20(19)29-5-2)10-11-23-31(26,27)17-7-9-21-18(14-17)24-22(25)12-15(3)30-21/h6-9,13-15,23H,4-5,10-12H2,1-3H3,(H,24,25)