methyl 3-pyridin-2-yl-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonyl-propanoate

Systemtic Name: methyl 3-pyridin-2-yl-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonyl-propanoate Openeye Name: methyl 3-(2-pyridyl)-2-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]sulfonyl]propanoate CAS Name: 3-(2-pyridinyl)-2-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidinyl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-pyridin-2-yl-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpropanoate Traditional Name: 3-(2-pyridyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidino]sulfonyl-propionic acid methyl ester Formula: C21H23F3N2O5S MolecularWeight: 472.47793

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=N1)S(=O)(=O)N2CCC(CC2)OC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C(CC1=CC=CC=N1)S(=O)(=O)N2CCC(CC2)OC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O5S/c1-30-20(27)19(14-16-4-2-3-11-25-16)32(28,29)26-12-9-18(10-13-26)31-17-7-5-15(6-8-17)21(22,23)24/h2-8,11,18-19H,9-10,12-14H2,1H3