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

Systemtic Name: 1-cyclopropyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-cyclopropyl-4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-cyclopropyl-4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidinyl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-cyclopropyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-cyclopropyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidino]sulfonyl-isonipecotic acid Formula: C21H27F3N2O5S MolecularWeight: 476.50969

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H27F3N2O5S/c22-21(23,24)15-1-5-17(6-2-15)31-18-7-11-26(12-8-18)32(29,30)20(19(27)28)9-13-25(14-10-20)16-3-4-16/h1-2,5-6,16,18H,3-4,7-14H2,(H,27,28)