dimethyl 5-[(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-chloro-2-ethylsulfonyl-pyrimidine-4-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(5-chloro-2-ethylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-chloro-2-ethylsulfonylpyrimidine-4-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-chloro-2-esyl-pyrimidine-4-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H16ClN3O7S MolecularWeight: 441.84284

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C17H16ClN3O7S/c1-4-29(25,26)17-19-8-12(18)13(21-17)14(22)20-11-6-9(15(23)27-2)5-10(7-11)16(24)28-3/h5-8H,4H2,1-3H3,(H,20,22)