6-(azepan-1-ylsulfonyl)-2-(5-fluoranyl-2-methoxy-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(5-fluoranyl-2-methoxy-phenyl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(5-fluoro-2-methoxy-phenyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(5-fluoro-2-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(5-fluoro-2-methoxy-phenyl)cinchoninic acid Formula: C23H23FN2O5S MolecularWeight: 458.502523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C23H23FN2O5S/c1-31-22-9-6-15(24)12-19(22)21-14-18(23(27)28)17-13-16(7-8-20(17)25-21)32(29,30)26-10-4-2-3-5-11-26/h6-9,12-14H,2-5,10-11H2,1H3,(H,27,28)