Analyte Name

Elsulfavirine-15N, D5

Molecular Formula

C24 D5 H12 Br Cl2 F 15N N2 O5 S

Molecular Weight

635.307

Accurate Mass

632.972

SMILES

[2H]C([2H])([2H])C([2H])([2H])C(=O)[15NH]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(c3)C#N)c2F)c(Cl)c1

InChI

InChI=1S/C24H17BrCl2FN3O5S/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(25)24(23(14)28)36-16-8-13(12-29)7-15(26)10-16/h3-8,10-11H,2,9H2,1H3,(H,30,33)(H,31,32)/i1D3,2D2,31+1

IUPAC

N-[4-[[2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]-3-chlorophenyl]sulfonyl-2,2,3,3,3-pentadeuteriopropan(15N)amide

SIL Type

Nitrogen, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat