4-[[2-fluoranyl-6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]-2-propan-2-yl-piperidine-1-carboxylic acid

Systemtic Name: 4-[[2-fluoranyl-6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]-2-propan-2-yl-piperidine-1-carboxylic acid Openeye Name: 4-[[2-fluoro-6-(4-methylsulfonylphenyl)-3-pyridyl]oxymethyl]-2-isopropyl-piperidine-1-carboxylic acid CAS Name: 4-[[2-fluoro-6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-2-propan-2-yl-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-fluoro-6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]-2-propan-2-ylpiperidine-1-carboxylic acid Traditional Name: 4-[[2-fluoro-6-(4-mesylphenyl)-3-pyridyl]oxymethyl]-2-isopropyl-piperidine-1-carboxylic acid Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(CCN1C(=O)O)COC2=C(N=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)C1CC(CCN1C(=O)O)COC2=C(N=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C22H27FN2O5S/c1-14(2)19-12-15(10-11-25(19)22(26)27)13-30-20-9-8-18(24-21(20)23)16-4-6-17(7-5-16)31(3,28)29/h4-9,14-15,19H,10-13H2,1-3H3,(H,26,27)