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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCOC1=CC=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H20N2O4S2/c1-2-24-16-6-4-3-5-13(16)12-19-26(22,23)14-7-8-17-15(11-14)20-18(21)9-10-25-17/h3-8,11,19H,2,9-10,12H2,1H3,(H,20,21)