N-(2-(N-Formyl-N-(3-(4-Chlorophenyl)-2-Propenyl)Amino)Ethyl)-5-Isoquinolinesulfonamide

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Properties Simple | Detailed

Formula C21H20ClN3O3S
IUPAC Name n-[(e)-3-(4-chlorophenyl)allyl]-n-[2-(5-isoquinolylsulfonylamino)ethyl]formamide
Molecular Mass 429.920 g·mol−1
Heat of Formation -213.5 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 486.5 Å 3
Surface Area 339.09 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • formamide, n-(3-(4-chlorophenyl)-2-propenyl)-n-(2-((5-isoquinolinylsulfonyl)amino)ethyl)-
  • h 85
  • h-85
  • n-[(e)-3-(4-chlorophenyl)prop-2-enyl]-n-[2-(5-isoquinolylsulfonylamino)ethyl]formamide
  • n-[(e)-3-(4-chlorophenyl)prop-2-enyl]-n-[2-(isoquinolin-5-ylsulfonylamino)ethyl]formamide
  • n-[(e)-3-(4-chlorophenyl)prop-2-enyl]-n-[2-(isoquinolin-5-ylsulfonylamino)ethyl]methanamide
CAS Number(s)
  • 130964-32-8
InChIKey XUXRTHZFSNFHQA-NSCUHMNNSA-N
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