(4-bromanyl-2-ethanoyl-phenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (4-bromanyl-2-ethanoyl-phenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (2-acetyl-4-bromo-phenyl) 5-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylic acid (2-acetyl-4-bromophenyl) ester IUPAC Name: (2-acetyl-4-bromophenyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carboxylic acid (2-acetyl-4-bromo-phenyl) ester Formula: C14H10BrClN2O5S MolecularWeight: 433.6616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrClN2O5S/c1-7(19)9-5-8(15)3-4-11(9)23-13(20)12-10(16)6-17-14(18-12)24(2,21)22/h3-6H,1-2H3