(4-propan-2-ylphenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (4-propan-2-ylphenyl) 5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxylate Openeye Name: (4-isopropylphenyl) 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxylic acid (4-propan-2-ylphenyl) ester IUPAC Name: (4-propan-2-ylphenyl) 2-benzylsulfonyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxylic acid p-cumenyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S/c1-14(2)16-8-10-17(11-9-16)28-20(25)19-18(22)12-23-21(24-19)29(26,27)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3