2-[2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(trifluoromethyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(trifluoromethyl)phenoxy]ethanoic acid Openeye Name: 2-[2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(trifluoromethyl)phenoxy]acetic acid CAS Name: 2-[2-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-4-(trifluoromethyl)phenoxy]acetic acid IUPAC Name: 2-[2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(trifluoromethyl)phenoxy]acetic acid Traditional Name: 2-[2-[4-(4-methylpiperazino)sulfonylphenyl]-4-(trifluoromethyl)phenoxy]acetic acid Formula: C20H21F3N2O5S MolecularWeight: 458.45135

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)OCC(=O)O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)OCC(=O)O

InChI

InChI=1S/C20H21F3N2O5S/c1-24-8-10-25(11-9-24)31(28,29)16-5-2-14(3-6-16)17-12-15(20(21,22)23)4-7-18(17)30-13-19(26)27/h2-7,12H,8-11,13H2,1H3,(H,26,27)