5-(2-chlorophenyl)-2-methylsulfonyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-(2-chlorophenyl)-2-methylsulfonyl-pyrimidine-4-carboxylic acid Openeye Name: 5-(2-chlorophenyl)-2-methylsulfonyl-pyrimidine-4-carboxylic acid CAS Name: 5-(2-chlorophenyl)-2-methylsulfonyl-4-pyrimidinecarboxylic acid IUPAC Name: 5-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxylic acid Traditional Name: 5-(2-chlorophenyl)-2-mesyl-pyrimidine-4-carboxylic acid 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)O)C2=CC=CC=C2Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)O)C2=CC=CC=C2Cl

InChI

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