(2,3-dimethylphenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (2,3-dimethylphenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate Openeye Name: (2,3-dimethylphenyl) 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxylic acid (2,3-dimethylphenyl) ester IUPAC Name: (2,3-dimethylphenyl) 2-benzylsulfonyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylic acid (2,3-dimethylphenyl) ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H17ClN2O4S/c1-13-7-6-10-17(14(13)2)27-19(24)18-16(21)11-22-20(23-18)28(25,26)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3