(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carboxylate

Systemtic Name: (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carboxylate Openeye Name: (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate CAS Name: 6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxylic acid [[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl ester IUPAC Name: (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate Traditional Name: 6-(2,2,2-trifluoroethoxy)nicotinic acid (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl ester Formula: C15H14F3N5O8S MolecularWeight: 481.36057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)OC(=O)C2=CN=C(C=C2)OCC(F)(F)F)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)OC(=O)C2=CN=C(C=C2)OCC(F)(F)F)OC

InChI

InChI=1S/C15H14F3N5O8S/c1-28-10-5-11(29-2)21-13(20-10)22-14(25)23-32(26,27)31-12(24)8-3-4-9(19-6-8)30-7-15(16,17)18/h3-6H,7H2,1-2H3,(H2,20,21,22,23,25)