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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

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