4-[[2-fluoranyl-4-(5-methylsulfonylpyridin-2-yl)phenoxy]methyl]-2-propan-2-yl-piperidine-1-carboxylic acid

Systemtic Name: 4-[[2-fluoranyl-4-(5-methylsulfonylpyridin-2-yl)phenoxy]methyl]-2-propan-2-yl-piperidine-1-carboxylic acid Openeye Name: 4-[[2-fluoro-4-(5-methylsulfonyl-2-pyridyl)phenoxy]methyl]-2-isopropyl-piperidine-1-carboxylic acid CAS Name: 4-[[2-fluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-2-propan-2-yl-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-fluoro-4-(5-methylsulfonylpyridin-2-yl)phenoxy]methyl]-2-propan-2-ylpiperidine-1-carboxylic acid Traditional Name: 4-[[2-fluoro-4-(5-mesyl-2-pyridyl)phenoxy]methyl]-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(C=C(C=C2)C3=NC=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

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

InChI

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