(5-methyl-2-propan-2-yl-phenyl) 5-chloranyl-2-[(4-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 5-chloranyl-2-[(4-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) 5-chloro-2-(p-tolylmethylsulfonyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 5-chloro-2-[(4-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(4-methylbenzyl)sulfonyl-pyrimidine-4-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C23H23ClN2O4S MolecularWeight: 458.95772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O4S/c1-14(2)18-10-7-16(4)11-20(18)30-22(27)21-19(24)12-25-23(26-21)31(28,29)13-17-8-5-15(3)6-9-17/h5-12,14H,13H2,1-4H3