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

Systemtic Name: 5-bromanyl-2-[(2-chloranyl-4-methylsulfonyl-phenyl)amino]-3,4-bis(fluoranyl)benzoic acid Openeye Name: 5-bromo-2-(2-chloro-4-methylsulfonyl-anilino)-3,4-difluoro-benzoic acid CAS Name: 5-bromo-2-(2-chloro-4-methylsulfonylanilino)-3,4-difluorobenzoic acid IUPAC Name: 5-bromo-2-(2-chloro-4-methylsulfonylanilino)-3,4-difluorobenzoic acid Traditional Name: 5-bromo-2-(2-chloro-4-mesyl-anilino)-3,4-difluoro-benzoic acid Formula: C14H9BrClF2NO4S MolecularWeight: 440.644366

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C(=C(C=C2C(=O)O)Br)F)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C(=C(C=C2C(=O)O)Br)F)F)Cl

InChI

InChI=1S/C14H9BrClF2NO4S/c1-24(22,23)6-2-3-10(9(16)4-6)19-13-7(14(20)21)5-8(15)11(17)12(13)18/h2-5,19H,1H3,(H,20,21)