sodium methyl 2-[(4,6-diethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: sodium methyl 2-[(4,6-diethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: sodium methyl 2-[(4,6-diethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: sodium 2-[[[(4,6-diethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-6-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: sodium methyl 2-[(4,6-diethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: sodium 2-[(4,6-diethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-(trifluoromethyl)nicotinic acid methyl ester Formula: C17H18F3N5NaO7S+ MolecularWeight: 516.4041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OCC.[Na+]

Isomeric SMILES

CCOC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OCC.[Na+]

InChI

InChI=1S/C17H18F3N5O7S.Na/c1-4-31-11-8-12(32-5-2)23-15(22-11)24-16(27)25-33(28,29)13-9(14(26)30-3)6-7-10(21-13)17(18,19)20;/h6-8H,4-5H2,1-3H3,(H2,22,23,24,25,27);/q;+1