N-{2-[(2R,12Bs)-2'-Oxo-1,3,4,6,7,12B-Hexahydro-3'H-Spiro[1-Benzofuro[2,3-A]Quinolizine-2,4'-Imidazolidin]-3'-Yl]Ethyl}Methanesulfonamide

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Properties Simple | Detailed

Formula C20H26N4O4S
IUPAC Name n-[2-[(2r,5r,12bs)-2'-oxospiro[1,3,4,6,7,12b-hexahydrobenzofuro[2,3-a]quinolizine-2,5'-imidazolidine]-1'-yl]ethyl]methanesulfonamide
Molecular Mass 418.510 g·mol−1
Heat of Formation -477.3 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 472.74 Å 3
Surface Area 381.79 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • l 659066
  • l-659,066
  • methanesulfonamide, n-(2-(1,3,4,6,7,12b-hexahydro-2'-oxospiro(2h-benzofuro(2,3-a)quinolizine-2,4'-imidazolidin)-3'-yl)ethyl)-, trans-
  • mk 467
  • n-[2-[(2r,12bs)-2'-ketospiro[1,3,4,6,7,12b-hexahydrobenzofurano[3,2-h]quinolizine-2,5'-imidazolidine]-1'-yl]ethyl]methanesulfonamide
  • n-[2-[(2r,12bs)-2'-oxo-1'-spiro[1,3,4,6,7,12b-hexahydrobenzofurano[3,2-h]quinolizine-2,5'-imidazolidine]yl]ethyl]methanesulfonamide
  • n-[2-[(2r,12bs)-2'-oxospiro[1,3,4,6,7,12b-hexahydro-[1]benzoxolo[3,2-h]quinolizine-2,5'-imidazolidine]-1'-yl]ethyl]methanesulfonamide
  • n-[2-[(2r,12bs)-2'-oxospiro[1,3,4,6,7,12b-hexahydrobenzofurano[3,2-h]quinolizine-2,5'-imidazolidine]-1'-yl]ethyl]methanesulfonamide
CAS Number(s)
  • 114914-42-0
InChIKey GTBKISRCRQUFNL-OXJNMPFZSA-N
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