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

Systemtic Name: 5-bromanyl-3,4-bis(fluoranyl)-2-[(2-methyl-4-methylsulfonyl-phenyl)amino]benzoic acid Openeye Name: 5-bromo-3,4-difluoro-2-(2-methyl-4-methylsulfonyl-anilino)benzoic acid CAS Name: 5-bromo-3,4-difluoro-2-(2-methyl-4-methylsulfonylanilino)benzoic acid IUPAC Name: 5-bromo-3,4-difluoro-2-(2-methyl-4-methylsulfonylanilino)benzoic acid Traditional Name: 5-bromo-3,4-difluoro-2-(4-mesyl-2-methyl-anilino)benzoic acid Formula: C15H12BrF2NO4S MolecularWeight: 420.225886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrF2NO4S/c1-7-5-8(24(2,22)23)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)