methyl 2-chloranyl-5-methylsulfonyl-4-pyridin-3-yl-benzoate

Systemtic Name: methyl 2-chloranyl-5-methylsulfonyl-4-pyridin-3-yl-benzoate Openeye Name: methyl 2-chloro-5-methylsulfonyl-4-(3-pyridyl)benzoate CAS Name: 2-chloro-5-methylsulfonyl-4-(3-pyridinyl)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-methylsulfonyl-4-pyridin-3-ylbenzoate Traditional Name: 2-chloro-5-mesyl-4-(3-pyridyl)benzoic acid methyl ester Formula: C14H12ClNO4S MolecularWeight: 325.76738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C(=C1)S(=O)(=O)C)C2=CN=CC=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C(=C1)S(=O)(=O)C)C2=CN=CC=C2)Cl

InChI

InChI=1S/C14H12ClNO4S/c1-20-14(17)11-7-13(21(2,18)19)10(6-12(11)15)9-4-3-5-16-8-9/h3-8H,1-2H3