3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]benzoic acid

Systemtic Name: 3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]benzoic acid Openeye Name: 3,4-difluoro-2-(2-fluoro-4-methylsulfonyl-anilino)benzoic acid CAS Name: 3,4-difluoro-2-(2-fluoro-4-methylsulfonylanilino)benzoic acid IUPAC Name: 3,4-difluoro-2-(2-fluoro-4-methylsulfonylanilino)benzoic acid Traditional Name: 3,4-difluoro-2-(2-fluoro-4-mesyl-anilino)benzoic acid Formula: C14H10F3NO4S MolecularWeight: 345.29371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C=CC(=C2F)F)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C=CC(=C2F)F)C(=O)O)F

InChI

InChI=1S/C14H10F3NO4S/c1-23(21,22)7-2-5-11(10(16)6-7)18-13-8(14(19)20)3-4-9(15)12(13)17/h2-6,18H,1H3,(H,19,20)