2-(azepan-1-ium-1-yl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(diethylsulfamoyl)benzyl]acetamide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C19H31N3O3S/c1-3-22(4-2)26(24,25)18-11-9-17(10-12-18)15-20-19(23)16-21-13-7-5-6-8-14-21/h9-12H,3-8,13-16H2,1-2H3,(H,20,23)/p+1