(2-methylphenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (2-methylphenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate Openeye Name: o-tolyl 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxylic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 2-benzylsulfonyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylic acid o-tolyl ester Formula: C19H15ClN2O4S MolecularWeight: 402.8514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H15ClN2O4S/c1-13-7-5-6-10-16(13)26-18(23)17-15(20)11-21-19(22-17)27(24,25)12-14-8-3-2-4-9-14/h2-11H,12H2,1H3