sodium (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: sodium (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: sodium (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: sodium 6-(trifluoromethyl)-3-pyridinecarboxylic acid [[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl ester IUPAC Name: sodium (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl 6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: sodium 6-(trifluoromethyl)nicotinic acid (4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl ester Formula: C14H12F3N5NaO7S+ MolecularWeight: 474.32436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)OC(=O)C2=CN=C(C=C2)C(F)(F)F)OC.[Na+]

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)OC(=O)C2=CN=C(C=C2)C(F)(F)F)OC.[Na+]

InChI

InChI=1S/C14H12F3N5O7S.Na/c1-27-9-5-10(28-2)20-12(19-9)21-13(24)22-30(25,26)29-11(23)7-3-4-8(18-6-7)14(15,16)17;/h3-6H,1-2H3,(H2,19,20,21,22,24);/q;+1