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

Systemtic Name: 2-bromanyl-5-(pyridin-4-ylmethylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(4-pyridylmethylsulfonyl)benzoic acid CAS Name: 2-bromo-5-(pyridin-4-ylmethylsulfonyl)benzoic acid IUPAC Name: 2-bromo-5-(pyridin-4-ylmethylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(4-pyridylmethylsulfonyl)benzoic acid Formula: C13H10BrNO4S MolecularWeight: 356.1918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CC2=CC=NC=C2)C(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CC2=CC=NC=C2)C(=O)O)Br

InChI

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