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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-19(28)20-8-10-22(11-9-20)32(30,31)26-16-14-25(15-17-26)18-23(29)27(13-5-12-24)21-6-3-2-4-7-21/h2-4,6-11H,5,13-18H2,1H3/p+1