N-[2-({2-[(4-Chlorobenzyl)Oxy]Ethyl}Amino)Ethyl]-5-Isoquinolinesulfonamide

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Properties Simple | Detailed

Formula C20H22ClN3O3S
IUPAC Name n-[2-[2-[(4-chlorophenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide
Molecular Mass 419.925 g·mol−1
Heat of Formation -223.0 ± 16.7 kJ·mol−1
Dipole Moment 6.12 ± 1.08 D
Volume 485.2 Å 3
Surface Area 405.79 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide
  • n-[2-[2-[(4-chlorophenyl)methoxy]ethylamino]ethyl]-5-isoquinolinesulfonamide
InChIKey AUHWQSZMVMMRLM-UHFFFAOYSA-N
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Elements C Cl H O N S