Despropionyl Elsulfavirine-13C6

Analyte Name

Despropionyl Elsulfavirine-13C6

Molecular Formula

13C6 C15 H13 Br Cl2 F N3 O4 S

Molecular Weight

579.175

Accurate Mass

576.937

SMILES

NS(=O)(=O)[13c]1[13cH][13cH][13c](NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(c3)C#N)c2F)[13c](Cl)[13cH]1

InChI

InChI=1S/C21H13BrCl2FN3O4S/c22-16-3-1-12(20(25)21(16)32-14-6-11(10-26)5-13(23)8-14)7-19(29)28-18-4-2-15(9-17(18)24)33(27,30)31/h1-6,8-9H,7H2,(H,28,29)(H2,27,30,31)/i2+1,4+1,9+1,15+1,17+1,18+1

IUPAC

2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(6-chloro-4-sulfamoyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)acetamide

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat