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

Systemtic Name: 2-bromanyl-5-(pyridin-3-ylmethylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(3-pyridylmethylsulfonyl)benzoic acid CAS Name: 2-bromo-5-(3-pyridinylmethylsulfonyl)benzoic acid IUPAC Name: 2-bromo-5-(pyridin-3-ylmethylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(3-pyridylmethylsulfonyl)benzoic acid Formula: C13H10BrNO4S MolecularWeight: 356.1918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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