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

Systemtic Name: 3-methyl-4-methylsulfonyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 3-methyl-4-methylsulfonyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 3-methyl-4-methylsulfonyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3-methyl-4-methylsulfonyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-mesyl-3-methyl-1-[4-[2-(trifluoromethyl)benzyl]oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C21H23F3N2O7S2 MolecularWeight: 536.54173

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C(F)(F)F)C(=O)O

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H23F3N2O7S2/c1-14-19(20(27)28)26(12-11-25(14)34(2,29)30)35(31,32)17-9-7-16(8-10-17)33-13-15-5-3-4-6-18(15)21(22,23)24/h3-10,14,19H,11-13H2,1-2H3,(H,27,28)