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

Systemtic Name: 4-(2-bromophenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-bromophenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-bromophenyl)-2-methylsulfonyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-bromophenyl)-2-methylsulfonylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-bromophenyl)-2-mesyl-pyrimidine-5-carboxylic acid Formula: C12H9BrN2O4S MolecularWeight: 357.17986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C2=CC=CC=C2Br)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C2=CC=CC=C2Br)C(=O)O

InChI

InChI=1S/C12H9BrN2O4S/c1-20(18,19)12-14-6-8(11(16)17)10(15-12)7-4-2-3-5-9(7)13/h2-6H,1H3,(H,16,17)