(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 3-(trifluoromethyloxy)benzenesulfonate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 3-(trifluoromethyloxy)benzenesulfonate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(trifluoromethoxy)benzenesulfonate CAS Name: 3-(trifluoromethoxy)benzenesulfonic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(trifluoromethoxy)benzenesulfonate Traditional Name: 3-(trifluoromethoxy)benzenesulfonic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C16H12F3NO5S MolecularWeight: 387.33039

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

InChI

InChI=1S/C16H12F3NO5S/c17-16(18,19)24-11-2-1-3-13(9-11)26(22,23)25-12-5-6-14-10(8-12)4-7-15(21)20-14/h1-3,5-6,8-9H,4,7H2,(H,20,21)