ethyl 4-[[5-chloranyl-2-[(4-methylphenyl)methylsulfonyl]pyrimidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-chloranyl-2-[(4-methylphenyl)methylsulfonyl]pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-chloro-2-(p-tolylmethylsulfonyl)pyrimidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[5-chloro-2-[(4-methylphenyl)methylsulfonyl]-4-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-chloro-2-[(4-methylphenyl)methylsulfonyl]pyrimidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[5-chloro-2-(4-methylbenzyl)sulfonyl-pyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C22H20ClN3O5S MolecularWeight: 473.9293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O5S/c1-3-31-21(28)16-8-10-17(11-9-16)25-20(27)19-18(23)12-24-22(26-19)32(29,30)13-15-6-4-14(2)5-7-15/h4-12H,3,13H2,1-2H3,(H,25,27)