Catalog Number:
AG00HSS3
Chemical Name:
Tert-Butyl 3-(Trifluoromethylsulfonyloxy)-4,5,6,8-Tetrahydropyrazolo[3,4-C]Azepine-7(1H)-Carboxylate
CAS Number:
1330765-12-2
Molecular Formula:
C13H18F3N3O5S
Molecular Weight:
385.3593
MDL Number:
MFCD20231201
IUPAC Name:
tert-butyl 3-(trifluoromethylsulfonyloxy)-4,5,6,8-tetrahydro-1H-pyrazolo[3,4-c]azepine-7-carboxylate
InChI:
InChI=1S/C13H18F3N3O5S/c1-12(2,3)23-11(20)19-6-4-5-8-9(7-19)17-18-10(8)24-25(21,22)13(14,15)16/h4-7H2,1-3H3,(H,17,18)
InChI Key:
CXLRKVZDTMXHHL-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c(C1)[nH]nc2OS(=O)(=O)C(F)(F)F)OC(C)(C)C
