(2-ethanoyl-3,5-dimethyl-phenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (2-ethanoyl-3,5-dimethyl-phenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate Openeye Name: (2-acetyl-3,5-dimethyl-phenyl) 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxylic acid (2-acetyl-3,5-dimethylphenyl) ester IUPAC Name: (2-acetyl-3,5-dimethylphenyl) 2-benzylsulfonyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylic acid (2-acetyl-3,5-dimethyl-phenyl) ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3)C(=O)C)C

InChI

InChI=1S/C22H19ClN2O5S/c1-13-9-14(2)19(15(3)26)18(10-13)30-21(27)20-17(23)11-24-22(25-20)31(28,29)12-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3