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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H28FN4O3S+ MolecularWeight: 423.524723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)C3(CCCCC3)C#N

InChI

InChI=1S/C20H27FN4O3S/c1-23(20(16-22)9-5-2-6-10-20)19(26)15-24-11-13-25(14-12-24)29(27,28)18-8-4-3-7-17(18)21/h3-4,7-8H,2,5-6,9-15H2,1H3/p+1