(2,4-dimethylphenyl) 5-chloranyl-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate

Systemtic Name: (2,4-dimethylphenyl) 5-chloranyl-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (2,4-dimethylphenyl) 5-chloro-2-(o-tolylmethylsulfonyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(2-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(2-methylbenzyl)sulfonyl-pyrimidine-4-carboxylic acid (2,4-dimethylphenyl) ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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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=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3C)C

InChI

InChI=1S/C21H19ClN2O4S/c1-13-8-9-18(15(3)10-13)28-20(25)19-17(22)11-23-21(24-19)29(26,27)12-16-7-5-4-6-14(16)2/h4-11H,12H2,1-3H3