2-[5-(4-fluorophenyl)pyridin-2-yl]oxy-3-methyl-2-(piperidin-1-ylsulfonylmethyl)butanoic acid

Systemtic Name: 2-[5-(4-fluorophenyl)pyridin-2-yl]oxy-3-methyl-2-(piperidin-1-ylsulfonylmethyl)butanoic acid Openeye Name: 2-[[5-(4-fluorophenyl)-2-pyridyl]oxy]-3-methyl-2-(1-piperidylsulfonylmethyl)butanoic acid CAS Name: 2-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]-3-methyl-2-(1-piperidinylsulfonylmethyl)butanoic acid IUPAC Name: 2-[5-(4-fluorophenyl)pyridin-2-yl]oxy-3-methyl-2-(piperidin-1-ylsulfonylmethyl)butanoic acid Traditional Name: 2-[[5-(4-fluorophenyl)-2-pyridyl]oxy]-3-methyl-2-(piperidinosulfonylmethyl)butyric acid Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCCCC1)(C(=O)O)OC2=NC=C(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCCCC1)(C(=O)O)OC2=NC=C(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O5S/c1-16(2)22(21(26)27,15-31(28,29)25-12-4-3-5-13-25)30-20-11-8-18(14-24-20)17-6-9-19(23)10-7-17/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,26,27)