N-(2-cyanoethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S/c1-19-8-10-21(11-9-19)30(28,29)25-16-14-24(15-17-25)18-22(27)26(13-5-12-23)20-6-3-2-4-7-20/h2-4,6-11H,5,13-18H2,1H3/p+1