N-(4-methylphenyl)-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(p-tolyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(p-tolyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H23F3N3O4S+ MolecularWeight: 458.47453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H22F3N3O4S/c1-15-2-4-16(5-3-15)24-19(27)14-25-10-12-26(13-11-25)31(28,29)18-8-6-17(7-9-18)30-20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27)/p+1