5,7-(3-Phenylsulfonylamino[2.2.1]Bicyclohept-2-Yl)Heptenoic Acid

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Properties Simple | Detailed

Formula C20H27NO4S
IUPAC Name (z)-7-[(1r,2s,3s,4s)-3-(benzenesulfonamido)norbornan-2-yl]hept-5-enoic acid
Molecular Mass 377.498 g·mol−1
Heat of Formation -665.4 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 460.22 Å 3
Surface Area 345.06 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2s,3s,4s)-3-(phenylsulfonylamino)-2-norbornanyl]hept-5-enoic acid
  • (z)-7-[(1r,2s,3s,4s)-3-(phenylsulfonylamino)norbornan-2-yl]hept-5-enoic acid
  • (z)-7-[(1r,4s,5s,6s)-5-(phenylsulfonylamino)-6-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
  • 5,7-(3-phenylsulfonylamino(2.2.1)bicyclohept-2-yl)heptenoic acid
  • 5-heptenoic acid, 7-((1r,2s,3s,4s)-3-((phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, (5z)-
  • 5-heptenoic acid, 7-(3-((phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, (1r-(1alpha,2alpha(z),3beta,4alpha))-
  • calcium 5,7-(3-phenylsulfonylaminobicyclo(2.2.1)hept-2-yl)-5-heptenoate hydrate
  • s 145
  • s-145
CAS Number(s)
  • 112966-96-8
InChIKey PWTCIBWRMQFJBC-ZEMKZVSASA-N
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