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

Systemtic Name: (4-propan-2-ylphenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (4-isopropylphenyl) 5-chloro-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (4-propan-2-ylphenyl) ester IUPAC Name: (4-propan-2-ylphenyl) 5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxylic acid p-cumenyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4S/c1-14(2)17-7-9-18(10-8-17)29-21(26)20-19(23)12-24-22(25-20)30(27,28)13-16-6-4-5-15(3)11-16/h4-12,14H,13H2,1-3H3