N-{4-[(1S)-1-Hydroxy-2-({[(2R)-1-Oxo-1,2,3,4-Tetrahydro-2-Naphthalenyl]Methyl}Amino)Ethyl]Phenyl}Methanesulfonamide

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Properties Simple | Detailed

Formula C20H24N2O4S
IUPAC Name n-[4-[(1s)-1-hydroxy-2-[[(2r)-1-oxotetralin-2-yl]methylamino]ethyl]phenyl]methanesulfonamide
Molecular Mass 388.481 g·mol−1
Heat of Formation -556.7 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 455.11 Å 3
Surface Area 354.18 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (4'-1-hydroxy-2-(((1,2,3,4-tetrahydro-1-oxo-2-naphthyl)methyl)amino)ethyl)methanesulfonanilide hydrochloride
  • 1045u85
  • n-[4-[(1s)-1-hydroxy-2-[[(2r)-1-ketotetralin-2-yl]methylamino]ethyl]phenyl]methanesulfonamide
  • n-[4-[(1s)-1-hydroxy-2-[[(2r)-1-oxo-2-tetralinyl]methylamino]ethyl]phenyl]methanesulfonamide
  • n-[4-[(1s)-1-hydroxy-2-[[(2r)-1-oxo-3,4-dihydro-2h-naphthalen-2-yl]methylamino]ethyl]phenyl]methanesulfonamide
  • n-[4-[(1s)-1-hydroxy-2-[[(2r)-1-oxotetralin-2-yl]methylamino]ethyl]phenyl]methanesulfonamide
CAS Number(s)
  • 129314-29-0
InChIKey GHACVBCUANDNID-VQIMIIECSA-N
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