Analyte Name

(5R-trans)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3-ylmethyl Ester

CAS Number

159811-30-0

Molecular Formula

C21H21F2N3O4S

Molecular Weight

449.47

Accurate Mass

449.12

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2C[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OC2

InChI

InChI=1S/C21H21F2N3O4S/c1-15-2-5-18(6-3-15)31(27,28)30-11-16-9-21(29-10-16,12-26-14-24-13-25-26)19-7-4-17(22)8-20(19)23/h2-8,13-14,16H,9-12H2,1H3/t16-,21+/m1/s1

IUPAC

((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate

Alternate CAS Number

Diastereomer: 149809-43-8

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat