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

Systemtic Name: 4-methylsulfonyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-methylsulfonyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-methylsulfonyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-methylsulfonyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-mesyl-1-[4-[2-(trifluoromethyl)benzyl]oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C20H21F3N2O7S2 MolecularWeight: 522.51515

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H21F3N2O7S2/c1-33(28,29)24-10-11-25(18(12-24)19(26)27)34(30,31)16-8-6-15(7-9-16)32-13-14-4-2-3-5-17(14)20(21,22)23/h2-9,18H,10-13H2,1H3,(H,26,27)