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

Systemtic Name: N-cyclohexyl-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclohexylacetamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexylacetamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-acetamide Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CCCCC3

InChI

InChI=1S/C20H29N3O4S/c1-16(24)17-7-9-19(10-8-17)28(26,27)23-13-11-22(12-14-23)15-20(25)21-18-5-3-2-4-6-18/h7-10,18H,2-6,11-15H2,1H3,(H,21,25)/p+1