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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H26N5O3S+ MolecularWeight: 452.54924

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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=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H25N5O3S/c1-19-7-9-21(10-8-19)28(12-4-11-24)23(29)18-26-13-15-27(16-14-26)32(30,31)22-6-3-2-5-20(22)17-25/h2-3,5-10H,4,12-16,18H2,1H3/p+1