5-bromanyl-2-fluoranyl-3-(pyridin-4-ylmethylsulfonyl)benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-(pyridin-4-ylmethylsulfonyl)benzoic acid Openeye Name: 5-bromo-2-fluoro-3-(4-pyridylmethylsulfonyl)benzoic acid CAS Name: 5-bromo-2-fluoro-3-(pyridin-4-ylmethylsulfonyl)benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-(pyridin-4-ylmethylsulfonyl)benzoic acid Traditional Name: 5-bromo-2-fluoro-3-(4-pyridylmethylsulfonyl)benzoic acid Formula: C13H9BrFNO4S MolecularWeight: 374.182263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CS(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

Isomeric SMILES

C1=CN=CC=C1CS(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F

InChI

InChI=1S/C13H9BrFNO4S/c14-9-5-10(13(17)18)12(15)11(6-9)21(19,20)7-8-1-3-16-4-2-8/h1-6H,7H2,(H,17,18)