(4-methyl-2-oxidanylidene-6-phenethyl-pyridin-1-yl) 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-methyl-2-oxidanylidene-6-phenethyl-pyridin-1-yl) 4-(trifluoromethyl)benzenesulfonate Openeye Name: (4-methyl-2-oxo-6-phenethyl-1-pyridyl) 4-(trifluoromethyl)benzenesulfonate CAS Name: 4-(trifluoromethyl)benzenesulfonic acid (4-methyl-2-oxo-6-phenethyl-1-pyridinyl) ester IUPAC Name: (4-methyl-2-oxo-6-phenethylpyridin-1-yl) 4-(trifluoromethyl)benzenesulfonate Traditional Name: 4-(trifluoromethyl)benzenesulfonic acid (2-keto-4-methyl-6-phenethyl-1-pyridyl) ester Formula: C21H18F3NO4S MolecularWeight: 437.43213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)CCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=O)N(C(=C1)CCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3NO4S/c1-15-13-18(10-7-16-5-3-2-4-6-16)25(20(26)14-15)29-30(27,28)19-11-8-17(9-12-19)21(22,23)24/h2-6,8-9,11-14H,7,10H2,1H3