4-(4-{2-[(1S)-3,4-Dihydro-1H-Isochromen-1-Yl]Ethyl}-1-Piperazinyl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C21H27N3O3S
IUPAC Name 4-[4-[2-[(1s)-isochroman-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
Molecular Mass 401.522 g·mol−1
Heat of Formation -291.0 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 474.71 Å 3
Surface Area 408.42 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[2-[(1s)-1-isochromanyl]ethyl]-1-piperazinyl]benzenesulfonamide
  • 4-[4-[2-[(1s)-isochroman-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
  • u-101387
InChIKey WNUQCGWXPNGORO-NRFANRHFSA-N
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