phenyl 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: phenyl 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: phenyl 5-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylic acid phenyl ester IUPAC Name: phenyl 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carboxylic acid phenyl ester Formula: C12H9ClN2O4S MolecularWeight: 312.72886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=CC=C2)Cl

InChI

InChI=1S/C12H9ClN2O4S/c1-20(17,18)12-14-7-9(13)10(15-12)11(16)19-8-5-3-2-4-6-8/h2-7H,1H3