4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-(2-methylpropyl)benzenesulfonamide

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-isobutyl-benzenesulfonamide CAS Name: 4-[[4-(2-cyanoethyl)-1-piperazin-4-iumyl]sulfonyl]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-isobutyl-benzenesulfonamide Formula: C17H27N4O4S2+ MolecularWeight: 415.55068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC#N

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC#N

InChI

InChI=1S/C17H26N4O4S2/c1-15(2)14-19-26(22,23)16-4-6-17(7-5-16)27(24,25)21-12-10-20(11-13-21)9-3-8-18/h4-7,15,19H,3,9-14H2,1-2H3/p+1