3-(azepan-1-ylcarbonyl)-N-(2-methoxyethyl)-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2-methoxyethyl)-4-methylsulfanyl-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(2-methoxyethyl)-4-methylsulfanyl-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2-methoxyethyl)-4-(methylthio)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2-methoxyethyl)-4-methylsulfanylbenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(2-methoxyethyl)-4-(methylthio)benzenesulfonamide Formula: C17H26N2O4S2 MolecularWeight: 386.52934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCCCC2

Isomeric SMILES

COCCNS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCCCC2

InChI

InChI=1S/C17H26N2O4S2/c1-23-12-9-18-25(21,22)14-7-8-16(24-2)15(13-14)17(20)19-10-5-3-4-6-11-19/h7-8,13,18H,3-6,9-12H2,1-2H3