N-(1-cyanocyclohexyl)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[4-(3-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)acetamide Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H28N4O4S/c1-17(26)18-6-5-7-19(14-18)30(28,29)25-12-10-24(11-13-25)15-20(27)23-21(16-22)8-3-2-4-9-21/h5-7,14H,2-4,8-13,15H2,1H3,(H,23,27)/p+1