(2-methylquinolin-8-yl) 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 4-(trifluoromethyl)benzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 4-(trifluoromethyl)benzenesulfonate CAS Name: 4-(trifluoromethyl)benzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-(trifluoromethyl)benzenesulfonate Traditional Name: 4-(trifluoromethyl)benzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C17H12F3NO3S MolecularWeight: 367.34229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C=C1

InChI

InChI=1S/C17H12F3NO3S/c1-11-5-6-12-3-2-4-15(16(12)21-11)24-25(22,23)14-9-7-13(8-10-14)17(18,19)20/h2-10H,1H3