4-[2-[4-(dicyanomethylidene)-2,6-dimethyl-pyridin-1-yl]ethyl]-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[4-(dicyanomethylidene)-2,6-dimethyl-pyridin-1-yl]ethyl]-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-[4-(dicyanomethylene)-2,6-dimethyl-1-pyridyl]ethyl]-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-[4-(dicyanomethylidene)-2,6-dimethylpyridin-1-yl]ethyl]-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-[4-(dicyanomethylene)-2,6-dimethyl-1-pyridyl]ethyl]-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C24H29N6O3S+ MolecularWeight: 481.59046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC[NH+](CC2)CCN3C(=CC(=C(C#N)C#N)C=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC[NH+](CC2)CCN3C(=CC(=C(C#N)C#N)C=C3C)C

InChI

InChI=1S/C24H28N6O3S/c1-18-4-6-23(7-5-18)34(32,33)27-24(31)29-11-8-28(9-12-29)10-13-30-19(2)14-21(15-20(30)3)22(16-25)17-26/h4-7,14-15H,8-13H2,1-3H3,(H,27,31)/p+1