(2R)-1-[(Cyanomethyl)Amino]-3-{[2-(Difluoromethoxy)Benzyl]Sulfonyl}-1-Oxo-2-Propanyl 4-Morpholinecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C18H21F2N3O7S
IUPAC Name [(1r)-2-(cyanomethylamino)-1-[[2-(difluoromethoxy)phenyl]methylsulfonylmethyl]-2-oxo-ethyl] morpholine-4-carboxylate
Molecular Mass 461.437 g·mol−1
Heat of Formation -1446.1 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 491.3 Å 3
Surface Area 416.61 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate
  • 4-morpholinecarboxylic acid [(1r)-2-(cyanomethylamino)-1-[[2-(difluoromethoxy)phenyl]methylsulfonylmethyl]-2-oxoethyl] ester
  • [(1r)-2-(cyanomethylamino)-1-[[2-(difluoromethoxy)phenyl]methylsulfonylmethyl]-2-oxo-ethyl] morpholine-4-carboxylate
  • [(2r)-1-(cyanomethylamino)-3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-propan-2-yl] morpholine-4-carboxylate
  • [(2r)-1-(cyanomethylamino)-3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxopropan-2-yl] morpholine-4-carboxylate
  • mo9
  • morpholine-4-carboxylic acid [(1r)-2-(cyanomethylamino)-1-[[2-(difluoromethoxy)benzyl]sulfonylmethyl]-2-keto-ethyl] ester
InChIKey YKWHKILAGONYKL-HNNXBMFYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S