(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 2-chloranyl-5-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 2-chloranyl-5-(trifluoromethyl)benzenesulfonate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloro-5-(trifluoromethyl)benzenesulfonate CAS Name: 2-chloro-5-(trifluoromethyl)benzenesulfonic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloro-5-(trifluoromethyl)benzenesulfonate Traditional Name: 2-chloro-5-(trifluoromethyl)benzenesulfonic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C16H11ClF3NO4S MolecularWeight: 405.77605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClF3NO4S/c17-12-4-2-10(16(18,19)20)8-14(12)26(23,24)25-11-3-5-13-9(7-11)1-6-15(22)21-13/h2-5,7-8H,1,6H2,(H,21,22)