2-(3-fluoranyl-4-methoxy-phenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-fluoranyl-4-methoxy-phenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-fluoro-4-methoxy-phenyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(3-fluoro-4-methoxyphenyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)-6-piperidinosulfonyl-cinchoninic acid Formula: C22H21FN2O5S MolecularWeight: 444.475943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O)F

InChI

InChI=1S/C22H21FN2O5S/c1-30-21-8-5-14(11-18(21)23)20-13-17(22(26)27)16-12-15(6-7-19(16)24-20)31(28,29)25-9-3-2-4-10-25/h5-8,11-13H,2-4,9-10H2,1H3,(H,26,27)