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

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-methyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-methyl-benzenesulfonamide CAS Name: 4-[[4-(2-cyanoethyl)-1-piperazin-4-iumyl]sulfonyl]-N-methyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-methylbenzenesulfonamide Traditional Name: N-benzyl-4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]sulfonyl-N-methyl-benzenesulfonamide Formula: C21H27N4O4S2+ MolecularWeight: 463.59348

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C21H26N4O4S2/c1-23(18-19-6-3-2-4-7-19)30(26,27)20-8-10-21(11-9-20)31(28,29)25-16-14-24(15-17-25)13-5-12-22/h2-4,6-11H,5,13-18H2,1H3/p+1