(4-ethanoyl-3-methyl-phenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (4-ethanoyl-3-methyl-phenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate Openeye Name: (4-acetyl-3-methyl-phenyl) 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxylic acid (4-acetyl-3-methylphenyl) ester IUPAC Name: (4-acetyl-3-methylphenyl) 2-benzylsulfonyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylic acid (4-acetyl-3-methyl-phenyl) ester Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O5S/c1-13-10-16(8-9-17(13)14(2)25)29-20(26)19-18(22)11-23-21(24-19)30(27,28)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3