N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(1-cyanocyclohexyl)-N-methylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C20H28N4O3S/c1-22(20(17-21)10-6-3-7-11-20)19(25)16-23-12-14-24(15-13-23)28(26,27)18-8-4-2-5-9-18/h2,4-5,8-9H,3,6-7,10-16H2,1H3/p+1