1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[pyridin-4-ylmethyl(trifluoromethylsulfonyl)amino]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[pyridin-4-ylmethyl(trifluoromethylsulfonyl)amino]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-pyridylmethyl(trifluoromethylsulfonyl)amino]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[pyridin-4-ylmethyl(trifluoromethylsulfonyl)amino]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[pyridin-4-ylmethyl(trifluoromethylsulfonyl)amino]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-pyridylmethyl(triflyl)amino]quinoline-3-carboxylic acid Formula: C20H15F4N3O5S MolecularWeight: 485.408813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=NC=C4)S(=O)(=O)C(F)(F)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=NC=C4)S(=O)(=O)C(F)(F)F)F)C(=O)O

InChI

InChI=1S/C20H15F4N3O5S/c21-15-7-13-16(26(12-1-2-12)10-14(18(13)28)19(29)30)8-17(15)27(33(31,32)20(22,23)24)9-11-3-5-25-6-4-11/h3-8,10,12H,1-2,9H2,(H,29,30)