N-(2-methylpropyl)-2-[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylpropyl)-2-[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-(benzenesulfonamido)-1-piperidin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-isobutyl-acetamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCC(CC1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCC(CC1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H27N3O3S/c1-14(2)12-18-17(21)13-20-10-8-15(9-11-20)19-24(22,23)16-6-4-3-5-7-16/h3-7,14-15,19H,8-13H2,1-2H3,(H,18,21)/p+1