N-(2-ethyl-6-methyl-phenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H27F3N3O3S+ MolecularWeight: 470.52829

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C

InChI

InChI=1S/C22H26F3N3O3S/c1-3-17-8-6-7-16(2)21(17)26-20(29)15-27-11-13-28(14-12-27)32(30,31)19-10-5-4-9-18(19)22(23,24)25/h4-10H,3,11-15H2,1-2H3,(H,26,29)/p+1