methyl 2-[4-[[6-(2-fluoranyl-4-methylsulfonyl-phenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[4-[[6-(2-fluoranyl-4-methylsulfonyl-phenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[4-[[6-(2-fluoro-4-methylsulfonyl-phenyl)-3-pyridyl]oxymethyl]-1-piperidyl]-2-oxo-acetate CAS Name: 2-[4-[[6-(2-fluoro-4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1-piperidinyl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[4-[[6-(2-fluoro-4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-2-oxoacetate Traditional Name: 2-[4-[[6-(2-fluoro-4-mesyl-phenyl)-3-pyridyl]oxymethyl]piperidino]-2-keto-acetic acid methyl ester Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)N1CCC(CC1)COC2=CN=C(C=C2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

COC(=O)C(=O)N1CCC(CC1)COC2=CN=C(C=C2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C21H23FN2O6S/c1-29-21(26)20(25)24-9-7-14(8-10-24)13-30-15-3-6-19(23-12-15)17-5-4-16(11-18(17)22)31(2,27)28/h3-6,11-12,14H,7-10,13H2,1-2H3