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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C21H30N4O3S/c1-23(21(18-22)10-6-3-7-11-21)20(26)16-24-12-14-25(15-13-24)29(27,28)17-19-8-4-2-5-9-19/h2,4-5,8-9H,3,6-7,10-17H2,1H3/p+1