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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4S2/c1-2-3-10-19-26(22,23)16-5-7-17(8-6-16)27(24,25)21-14-12-20(13-15-21)11-4-9-18/h5-8,19H,2-4,10-15H2,1H3/p+1