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

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C21H30N4O3S/c1-18-6-8-19(9-7-18)29(27,28)25-14-12-24(13-15-25)16-20(26)23(2)21(17-22)10-4-3-5-11-21/h6-9H,3-5,10-16H2,1-2H3/p+1