N-[1-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-methyl-propan-2-yl]benzenesulfonamide

Systemtic Name: N-[1-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-methyl-propan-2-yl]benzenesulfonamide Openeye Name: N-[2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-1,1-dimethyl-ethyl]benzenesulfonamide CAS Name: N-[1-[4-(2-cyanoethyl)-1-piperazin-1-iumyl]-2-methylpropan-2-yl]benzenesulfonamide IUPAC Name: N-[1-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-methylpropan-2-yl]benzenesulfonamide Traditional Name: N-[2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-1,1-dimethyl-ethyl]benzenesulfonamide Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCN(CC1)CCC#N)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C[NH+]1CCN(CC1)CCC#N)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H26N4O2S/c1-17(2,19-24(22,23)16-7-4-3-5-8-16)15-21-13-11-20(12-14-21)10-6-9-18/h3-5,7-8,19H,6,10-15H2,1-2H3/p+1