[4-(3-aminocarbonyl-4-oxidanylidene-7-pyridin-4-yl-quinolin-1-yl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(3-aminocarbonyl-4-oxidanylidene-7-pyridin-4-yl-quinolin-1-yl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[3-carbamoyl-4-oxo-7-(4-pyridyl)-1-quinolyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(3-carbamoyl-4-oxo-7-pyridin-4-yl-1-quinolinyl)phenyl] ester IUPAC Name: [4-(3-carbamoyl-4-oxo-7-pyridin-4-ylquinolin-1-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[3-carbamoyl-4-keto-7-(4-pyridyl)-1-quinolyl]phenyl] ester Formula: C22H14F3N3O5S MolecularWeight: 489.42387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H14F3N3O5S/c23-22(24,25)34(31,32)33-16-4-2-15(3-5-16)28-12-18(21(26)30)20(29)17-6-1-14(11-19(17)28)13-7-9-27-10-8-13/h1-12H,(H2,26,30)