N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H23F3N3O4S+ MolecularWeight: 458.47453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

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