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

Systemtic Name: ethyl 4-[(5-chloranyl-2-propylsulfonyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(5-chloro-2-propylsulfonyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[(5-chloro-2-propylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-2-propylsulfonylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[(5-chloro-2-propylsulfonyl-pyrimidine-4-carbonyl)amino]benzoic acid ethyl ester Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)OCC)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)OCC)Cl

InChI

InChI=1S/C17H18ClN3O5S/c1-3-9-27(24,25)17-19-10-13(18)14(21-17)15(22)20-12-7-5-11(6-8-12)16(23)26-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,20,22)