N-[(2R,11Bs)-1,3,4,6,7,11B-Hexahydro-2H-Pyrido[2,1-A]Isoquinolin-2-Yl]-N-{2-[(Methylsulfonyl)Amino]Ethyl}Methanesulfonamide

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Properties Simple | Detailed

Formula C17H27N3O4S2
IUPAC Name n-[2-[[(2r,5r,11bs)-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizin-2-yl]-methylsulfonyl-amino]ethyl]methanesulfonamide
Molecular Mass 401.544 g·mol−1
Heat of Formation -655.7 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 453.37 Å 3
Surface Area 370.35 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • methanesulfonamide, n-(1,3,4,6,7,11b-hexahydro-2h-benzo(1)quinolizin-2-yl)-n-(2-((methylsulfonyl)amino)ethyl)-, trans-
  • n-[2-[[(2r,11bs)-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinolin-2-yl]-mesyl-amino]ethyl]methanesulfonamide
  • n-[2-[[(2r,11bs)-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinolin-2-yl]-methylsulfonyl-amino]ethyl]methanesulfonamide
  • n-[2-[[(2r,11bs)-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinolin-2-yl]-methylsulfonylamino]ethyl]methanesulfonamide
  • wy 27127
  • wy-27127
CAS Number(s)
  • 95669-35-5
InChIKey VSQCTWPNMPWYSD-WBVHZDCISA-N
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