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

Systemtic Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-p-phenetyl-acetamide Formula: C23H28ClN4O4S+ MolecularWeight: 492.01082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H27ClN4O4S/c1-2-32-20-10-8-19(9-11-20)28(13-5-12-25)23(29)18-26-14-16-27(17-15-26)33(30,31)22-7-4-3-6-21(22)24/h3-4,6-11H,2,5,13-18H2,1H3/p+1