2-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]chromen-4-one

Systemtic Name: 2-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]chromen-4-one Openeye Name: 2-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridyl]chromen-4-one CAS Name: 2-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]-1-benzopyran-4-one IUPAC Name: 2-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]chromen-4-one Traditional Name: 2-(4-mesylphenyl)-3-[6-(trifluoromethyl)-3-pyridyl]chromone Formula: C22H14F3NO4S MolecularWeight: 445.41107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)C4=CN=C(C=C4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)C4=CN=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H14F3NO4S/c1-31(28,29)15-9-6-13(7-10-15)21-19(14-8-11-18(26-12-14)22(23,24)25)20(27)16-4-2-3-5-17(16)30-21/h2-12H,1H3