methyl 1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonyl-piperidine-4-carboxylate Openeye Name: methyl 1-pyrimidin-2-yl-4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]sulfonyl]piperidine-4-carboxylate CAS Name: 1-(2-pyrimidinyl)-4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidinyl]sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-pyrimidyl)-4-[4-[4-(trifluoromethyl)phenoxy]piperidino]sulfonyl-isonipecotic acid methyl ester Formula: C23H27F3N4O5S MolecularWeight: 528.54449

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C2=NC=CC=N2)S(=O)(=O)N3CCC(CC3)OC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C1(CCN(CC1)C2=NC=CC=N2)S(=O)(=O)N3CCC(CC3)OC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H27F3N4O5S/c1-34-20(31)22(9-15-29(16-10-22)21-27-11-2-12-28-21)36(32,33)30-13-7-19(8-14-30)35-18-5-3-17(4-6-18)23(24,25)26/h2-6,11-12,19H,7-10,13-16H2,1H3