4-[8-(2-fluoranyl-4-methylsulfonyl-phenyl)quinolin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[8-(2-fluoranyl-4-methylsulfonyl-phenyl)quinolin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[[8-(2-fluoro-4-methylsulfonyl-phenyl)-4-quinolyl]oxy]piperidine-1-carboxylic acid CAS Name: 4-[[8-(2-fluoro-4-methylsulfonylphenyl)-4-quinolinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[8-(2-fluoro-4-methylsulfonylphenyl)quinolin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[[8-(2-fluoro-4-mesyl-phenyl)-4-quinolyl]oxy]piperidine-1-carboxylic acid Formula: C22H21FN2O5S MolecularWeight: 444.475943

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=CC3=C(C=CN=C32)OC4CCN(CC4)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=CC3=C(C=CN=C32)OC4CCN(CC4)C(=O)O)F

InChI

InChI=1S/C22H21FN2O5S/c1-31(28,29)15-5-6-16(19(23)13-15)17-3-2-4-18-20(7-10-24-21(17)18)30-14-8-11-25(12-9-14)22(26)27/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,26,27)