methyl 2-chloranyl-5-methylsulfonyl-4-pyrimidin-5-yl-benzoate

Systemtic Name: methyl 2-chloranyl-5-methylsulfonyl-4-pyrimidin-5-yl-benzoate Openeye Name: methyl 2-chloro-5-methylsulfonyl-4-pyrimidin-5-yl-benzoate CAS Name: 2-chloro-5-methylsulfonyl-4-(5-pyrimidinyl)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-methylsulfonyl-4-pyrimidin-5-ylbenzoate Traditional Name: 2-chloro-5-mesyl-4-(5-pyrimidyl)benzoic acid methyl ester Formula: C13H11ClN2O4S MolecularWeight: 326.75544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4S/c1-20-13(17)10-4-12(21(2,18)19)9(3-11(10)14)8-5-15-7-16-6-8/h3-7H,1-2H3