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

Systemtic Name: 4-bromanyl-3-(pyridin-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-bromo-3-(2-pyridylmethylsulfonyl)benzoic acid CAS Name: 4-bromo-3-(2-pyridinylmethylsulfonyl)benzoic acid IUPAC Name: 4-bromo-3-(pyridin-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-bromo-3-(2-pyridylmethylsulfonyl)benzoic acid Formula: C13H10BrNO4S MolecularWeight: 356.1918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

C1=CC=NC(=C1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C13H10BrNO4S/c14-11-5-4-9(13(16)17)7-12(11)20(18,19)8-10-3-1-2-6-15-10/h1-7H,8H2,(H,16,17)