Analyte Name

N-[7-[2-[(1S)-1-Amino-2-(3,5-difluorophenyl)ethyl]-6-[3-methyl-3-(methylsulfonyl)-1-butyn-1-yl]-3-pyridinyl]-4-chloro-1-2,2,2-trifluo Methanesulfonamide]

CAS Number

3053923-46-6

Molecular Formula

C29H27ClF5N5O4S2

Molecular Weight

704.13

Accurate Mass

703.11

SMILES

N[C@H](C1=C(C(C=C2)=C(N3CC(F)(F)F)C(C(N[S](C)(=O)=O)=N3)=C2Cl)C=CC(C#CC(C)(C)[S](C)(=O)=O)=N1)CC4=CC(F)=CC(F)=C4

InChI

InChI=1S/C29H27ClF5N5O4S2/c1-28(2,45(3,41)42)10-9-19-5-6-20(25(37-19)23(36)13-16-11-17(31)14-18(32)12-16)21-7-8-22(30)24-26(21)40(15-29(33,34)35)38-27(24)39-46(4,43)44/h5-8,11-12,14,23H,13,15,36H2,1-4H3,(H,38,39)/t23-/m0/s1

IUPAC

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

Country of Origin

CANADA

Product Format

Neat