Analyte Name

(S)-N-(1-(3-(4-Chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)acetamide

Molecular Formula

C31H29ClF5N5O5S2

Molecular Weight

746.17

Accurate Mass

745.12

SMILES

CC([S](C)(=O)=O)(C)C#CC1=NC([C@H](CC2=CC(F)=CC(F)=C2)NC(C)=O)=C(C(C=C3)=C(N4CC(F)(F)F)C(C(N[S](C)(=O)=O)=N4)=C3Cl)C=C1

InChI

InChI=1S/C31H29ClF5N5O5S2/c1-17(43)38-25(14-18-12-19(33)15-20(34)13-18)27-22(7-6-21(39-27)10-11-30(2,3)48(4,44)45)23-8-9-24(32)26-28(23)42(16-31(35,36)37)40-29(26)41-49(5,46)47/h6-9,12-13,15,25H,14,16H2,1-5H3,(H,38,43)(H,40,41)/t25-/m0/s1

IUPAC

(S)-N-(1-(3-(4-chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)acetamide

Country of Origin

CANADA

Product Format

Neat