2-(4-methylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(4-methylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(4-methylsulfonylphenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-methylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(4-mesylphenyl)thio]nicotinic acid Formula: C13H11NO4S2 MolecularWeight: 309.36074

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H11NO4S2/c1-20(17,18)10-6-4-9(5-7-10)19-12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16)