2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]acetamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C17H27N3O3S/c1-14-8-9-15(24(22,23)19(2)3)12-16(14)18-17(21)13-20-10-6-4-5-7-11-20/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,18,21)/p+1