[4,6-dimethyl-3-(phenylsulfonyl)pyridin-2-yl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [4,6-dimethyl-3-(phenylsulfonyl)pyridin-2-yl] 2,6-bis(fluoranyl)benzoate Openeye Name: [3-(benzenesulfonyl)-4,6-dimethyl-2-pyridyl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [3-(benzenesulfonyl)-4,6-dimethyl-2-pyridinyl] ester IUPAC Name: [3-(benzenesulfonyl)-4,6-dimethylpyridin-2-yl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid (3-besyl-4,6-dimethyl-2-pyridyl) ester Formula: C20H15F2NO4S MolecularWeight: 403.399206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3F)F)C

Isomeric SMILES

CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3F)F)C

InChI

InChI=1S/C20H15F2NO4S/c1-12-11-13(2)23-19(18(12)28(25,26)14-7-4-3-5-8-14)27-20(24)17-15(21)9-6-10-16(17)22/h3-11H,1-2H3