N-(2-{[Methyl(3-{4-[(Methylsulfonyl)Amino]Phenoxy}Propyl)Amino]Methyl}-6-Quinolinyl)Methanesulfonamide

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Properties Simple | Detailed

Formula C22H27N4O5S2
IUPAC Name hydroxy-[[2-[[3-(4-isocyanophenoxy)propyl-methyl-amino]methyl]quinolin-1-ium-4a-id-6-yl]amino]-oxido-sulfonium; methanone; sulfur monoxide
Molecular Mass 491.604 g·mol−1
Heat of Formation -44.4 ± 16.7 kJ·mol−1
Dipole Moment 9.65 ± 1.08 D
Volume 578.76 Å 3
Surface Area 433.78 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • n-(2-((methyl-3-(4-((methylsulfonyl)amino)phenoxy)propyl)amino)methyl)-6-quinolinylmethanesulfonamide
  • n-[4-[3-[(6-methanesulfonamido-2-quinolyl)methyl-methyl-amino]propoxy]phenyl]methanesulfonamide
  • n-[4-[3-[(6-methanesulfonamido-2-quinolyl)methyl-methylamino]propoxy]phenyl]methanesulfonamide
  • n-[4-[3-[(6-methanesulfonamidoquinolin-2-yl)methyl-methylamino]propoxy]phenyl]methanesulfonamide
  • n-[4-[3-[methyl-[[6-(methylsulfonylamino)quinolin-2-yl]methyl]amino]propoxy]phenyl]methanesulfonamide
  • way 125971
  • way-125,971
CAS Number(s)
  • 139047-48-6
InChIKey HIIKPWFGIGTCBP-UHFFFAOYSA-N
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