5-bromanyl-3,4-bis(fluoranyl)-2-[(2-methyl-4-methylsulfinyl-phenyl)amino]benzoic acid

Systemtic Name: 5-bromanyl-3,4-bis(fluoranyl)-2-[(2-methyl-4-methylsulfinyl-phenyl)amino]benzoic acid Openeye Name: 5-bromo-3,4-difluoro-2-(2-methyl-4-methylsulfinyl-anilino)benzoic acid CAS Name: 5-bromo-3,4-difluoro-2-(2-methyl-4-methylsulfinylanilino)benzoic acid IUPAC Name: 5-bromo-3,4-difluoro-2-(2-methyl-4-methylsulfinylanilino)benzoic acid Traditional Name: 5-bromo-3,4-difluoro-2-(2-methyl-4-methylsulfinyl-anilino)benzoic acid Formula: C15H12BrF2NO3S MolecularWeight: 404.226486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)C)NC2=C(C(=C(C=C2C(=O)O)Br)F)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)C)NC2=C(C(=C(C=C2C(=O)O)Br)F)F

InChI

InChI=1S/C15H12BrF2NO3S/c1-7-5-8(23(2)22)3-4-11(7)19-14-9(15(20)21)6-10(16)12(17)13(14)18/h3-6,19H,1-2H3,(H,20,21)