methyl 3-methylsulfonyl-4-pyridin-2-yl-benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-pyridin-2-yl-benzoate Openeye Name: methyl 3-methylsulfonyl-4-(2-pyridyl)benzoate CAS Name: 3-methylsulfonyl-4-(2-pyridinyl)benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-pyridin-2-ylbenzoate Traditional Name: 3-mesyl-4-(2-pyridyl)benzoic acid methyl ester Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2=CC=CC=N2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2=CC=CC=N2)S(=O)(=O)C

InChI

InChI=1S/C14H13NO4S/c1-19-14(16)10-6-7-11(12-5-3-4-8-15-12)13(9-10)20(2,17)18/h3-9H,1-2H3