1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-pyrimidin-2-yl-4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-(2-pyrimidinyl)-4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidinyl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(2-pyrimidyl)-4-[4-[4-(trifluoromethyl)phenoxy]piperidino]sulfonyl-isonipecotic acid Formula: C22H25F3N4O5S MolecularWeight: 514.51791

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3(CCN(CC3)C4=NC=CC=N4)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3(CCN(CC3)C4=NC=CC=N4)C(=O)O

InChI

InChI=1S/C22H25F3N4O5S/c23-22(24,25)16-2-4-17(5-3-16)34-18-6-12-29(13-7-18)35(32,33)21(19(30)31)8-14-28(15-9-21)20-26-10-1-11-27-20/h1-5,10-11,18H,6-9,12-15H2,(H,30,31)