Analyte Name

N-tosyl Tegoprazan

CAS Number

942485-42-9

Molecular Formula

C27H25F2N3O5S

Molecular Weight

541.57

Accurate Mass

541.15

SMILES

S(=O)(=O)(N1C=2C(=C(O[C@@H]3C=4C(OCC3)=CC(F)=CC4F)C=C(C(N(C)C)=O)C2)N=C1C)C5=CC=C(C)C=C5

InChI

InChI=1S/C27H25F2N3O5S/c1-15-5-7-19(8-6-15)38(34,35)32-16(2)30-26-21(32)11-17(27(33)31(3)4)12-24(26)37-22-9-10-36-23-14-18(28)13-20(29)25(22)23/h5-8,11-14,22H,9-10H2,1-4H3/t22-/m0/s1

IUPAC

(S)-4-((5,7-difluorochroman-4-yl)oxy)-N,N,2-trimethyl-1-tosyl-1H-benzo[d]imidazole-6-carboxamide

Country of Origin

CANADA

Product Format

Neat