(3-methylphenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (3-methylphenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: m-tolyl 5-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carboxylic acid m-tolyl ester Formula: C13H11ClN2O4S MolecularWeight: 326.75544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C

InChI

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