4-[2-phenoxy-4-(trifluoromethyloxy)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 4-[2-phenoxy-4-(trifluoromethyloxy)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 4-[[2-phenoxy-4-(trifluoromethoxy)-1-piperidyl]sulfonyl]piperidine-4-carboxylic acid CAS Name: 4-[[2-phenoxy-4-(trifluoromethoxy)-1-piperidinyl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[2-phenoxy-4-(trifluoromethoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-[2-phenoxy-4-(trifluoromethoxy)piperidino]sulfonylisonipecotic acid Formula: C18H23F3N2O6S MolecularWeight: 452.44523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1OC(F)(F)F)OC2=CC=CC=C2)S(=O)(=O)C3(CCNCC3)C(=O)O

Isomeric SMILES

C1CN(C(CC1OC(F)(F)F)OC2=CC=CC=C2)S(=O)(=O)C3(CCNCC3)C(=O)O

InChI

InChI=1S/C18H23F3N2O6S/c19-18(20,21)29-14-6-11-23(15(12-14)28-13-4-2-1-3-5-13)30(26,27)17(16(24)25)7-9-22-10-8-17/h1-5,14-15,22H,6-12H2,(H,24,25)