3-methyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 3-methyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 3-methyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 3-methyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3-methyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 3-methyl-1-[4-[2-(trifluoromethyl)benzyl]oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C20H21F3N2O5S MolecularWeight: 458.45135

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C(F)(F)F)C(=O)O

Isomeric SMILES

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C(F)(F)F)C(=O)O

InChI

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