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

Systemtic Name: N-(2-methylphenyl)-2-[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-(benzenesulfonamido)-1-piperidin-1-iumyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(o-tolyl)acetamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-16-7-5-6-10-19(16)21-20(24)15-23-13-11-17(12-14-23)22-27(25,26)18-8-3-2-4-9-18/h2-10,17,22H,11-15H2,1H3,(H,21,24)/p+1