8-fluoranyl-1-[[5-(3-methylsulfonylphenyl)pyridin-2-yl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-1-[[5-(3-methylsulfonylphenyl)pyridin-2-yl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[5-(3-methylsulfonylphenyl)-2-pyridyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[5-(3-methylsulfonylphenyl)-2-pyridinyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[5-(3-methylsulfonylphenyl)pyridin-2-yl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-[[5-(3-mesylphenyl)-2-pyridyl]methyl]quinoline-3-carboxylic acid Formula: C23H17FN2O5S MolecularWeight: 452.454883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=CN=C(C=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=CN=C(C=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

InChI

InChI=1S/C23H17FN2O5S/c1-32(30,31)17-5-2-4-14(10-17)15-8-9-16(25-11-15)12-26-13-19(23(28)29)22(27)18-6-3-7-20(24)21(18)26/h2-11,13H,12H2,1H3,(H,28,29)