(3,5-dimethylphenyl) 5-chloranyl-2-[(4-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 5-chloranyl-2-[(4-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (3,5-dimethylphenyl) 5-chloro-2-(p-tolylmethylsulfonyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 5-chloro-2-[(4-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(4-methylbenzyl)sulfonyl-pyrimidine-4-carboxylic acid (3,5-dimethylphenyl) ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)OC3=CC(=CC(=C3)C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)OC3=CC(=CC(=C3)C)C)Cl

InChI

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