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

Systemtic Name: methyl 4-[(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(5-chloro-2-ethylsulfonyl-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[(5-chloro-2-ethylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-2-ethylsulfonylpyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[(5-chloro-2-esyl-pyrimidine-4-carbonyl)amino]benzoic acid methyl ester Formula: C15H14ClN3O5S MolecularWeight: 383.80676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN3O5S/c1-3-25(22,23)15-17-8-11(16)12(19-15)13(20)18-10-6-4-9(5-7-10)14(21)24-2/h4-8H,3H2,1-2H3,(H,18,20)