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

Systemtic Name: ethyl 4-[(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(5-chloro-2-ethylsulfonyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[(5-chloro-2-ethylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-2-ethylsulfonylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[(5-chloro-2-esyl-pyrimidine-4-carbonyl)amino]benzoic acid ethyl ester Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O5S/c1-3-25-15(22)10-5-7-11(8-6-10)19-14(21)13-12(17)9-18-16(20-13)26(23,24)4-2/h5-9H,3-4H2,1-2H3,(H,19,21)