4-({4-(Benzyloxy)-5-Methoxy-2-[(Methylsulfonyl)Amino]Benzyl}Amino)Benzenecarboximidamide

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Properties Simple | Detailed

Formula C23H26N4O4S
IUPAC Name 4-[[4-benzyloxy-2-(methanesulfonamido)-5-methoxy-phenyl]methylamino]benzamidine
Molecular Mass 454.542 g·mol−1
Heat of Formation -299.7 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 527.6 Å 3
Surface Area 466.97 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-benzyloxy-2-methanesulfonylamino-5-methoxy-benzylamino)-benzamidine
  • 4-[[2-methanesulfonamido-5-methoxy-4-(phenylmethoxy)phenyl]methylamino]benzamidine
  • 4-[[2-methanesulfonamido-5-methoxy-4-(phenylmethoxy)phenyl]methylamino]benzenecarboximidamide
  • 4-[[4-(benzyloxy)-2-methanesulfonamido-5-methoxy-benzyl]amino]benzamidine
  • 4-[[5-methoxy-2-(methylsulfonylamino)-4-(phenylmethoxy)phenyl]methylamino]benzenecarboximidamide
InChIKey CRFICMUDNBIMKL-UHFFFAOYSA-N
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