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

Systemtic Name: 4-ethanoyl-3-methyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-3-methyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-3-methyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-3-methyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-3-methyl-1-[4-[2-(trifluoromethyl)benzyl]oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C22H23F3N2O6S MolecularWeight: 500.48803

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C(F)(F)F)C(=O)O

Isomeric SMILES

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H23F3N2O6S/c1-14-20(21(29)30)27(12-11-26(14)15(2)28)34(31,32)18-9-7-17(8-10-18)33-13-16-5-3-4-6-19(16)22(23,24)25/h3-10,14,20H,11-13H2,1-2H3,(H,29,30)