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

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(p-tolyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(p-tolyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H28N4O3S/c1-19-4-8-21(9-5-19)27(13-3-12-24)23(28)18-25-14-16-26(17-15-25)31(29,30)22-10-6-20(2)7-11-22/h4-11H,3,13-18H2,1-2H3/p+1