Abrocitinib

Molecular Weight (g/mol)

323.42

Molecular Formula

C14H21N5O2S

InChI

InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)

InChIKey

IUEWXNHSKRWHDY-UHFFFAOYSA-N

SMILES

CCCS(=O)(=O)NC1CC(C1)N(C)C2=NC=NC3=C2C=CN3

IUPAC Name

N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]propane-1-sulfonamide

Exact Mass (Da)

323.1415961

Monoisotopic Mass (Da)

323.1415961