2-methyl-5-methylsulfonyl-4-pyridin-4-ylsulfanyl-benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-pyridin-4-ylsulfanyl-benzoic acid Openeye Name: 2-methyl-5-methylsulfonyl-4-(4-pyridylsulfanyl)benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-(pyridin-4-ylthio)benzoic acid IUPAC Name: 2-methyl-5-methylsulfonyl-4-pyridin-4-ylsulfanylbenzoic acid Traditional Name: 5-mesyl-2-methyl-4-(4-pyridylthio)benzoic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC2=CC=NC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC2=CC=NC=C2

InChI

InChI=1S/C14H13NO4S2/c1-9-7-12(20-10-3-5-15-6-4-10)13(21(2,18)19)8-11(9)14(16)17/h3-8H,1-2H3,(H,16,17)