1-cyclopropyl-4-[4-[4-(trifluoromethyloxy)phenoxy]piperidin-1-yl]sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-cyclopropyl-4-[4-[4-(trifluoromethyloxy)phenoxy]piperidin-1-yl]sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-cyclopropyl-4-[[4-[4-(trifluoromethoxy)phenoxy]-1-piperidyl]sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-cyclopropyl-4-[[4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-cyclopropyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-cyclopropyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidino]sulfonyl-isonipecotic acid Formula: C21H27F3N2O6S MolecularWeight: 492.50909

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CCC(CC2)(C(=O)O)S(=O)(=O)N3CCC(CC3)OC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CC1N2CCC(CC2)(C(=O)O)S(=O)(=O)N3CCC(CC3)OC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C21H27F3N2O6S/c22-21(23,24)32-18-5-3-16(4-6-18)31-17-7-11-26(12-8-17)33(29,30)20(19(27)28)9-13-25(14-10-20)15-1-2-15/h3-6,15,17H,1-2,7-14H2,(H,27,28)