N-(2-{4-[3-(4-Amino-5-Chloro-2-Methoxyphenyl)-3-Oxopropyl]-1-Piperidinyl}Ethyl)Methanesulfonamide

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Properties Simple | Detailed

Formula C18H28ClN3O4S
IUPAC Name n-[2-[4-[3-(4-amino-5-chloro-2-methoxy-phenyl)-3-oxo-propyl]-1-piperidyl]ethyl]methanesulfonamide
Molecular Mass 417.951 g·mol−1
Heat of Formation -708.0 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 484.86 Å 3
Surface Area 388.79 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • n-[2-[4-[3-(4-amino-5-chloro-2-methoxy-phenyl)-3-keto-propyl]-1-piperidyl]ethyl]methanesulfonamide
  • n-[2-[4-[3-(4-amino-5-chloro-2-methoxy-phenyl)-3-oxo-propyl]-1-piperidyl]ethyl]methanesulfonamide
  • n-[2-[4-[3-(4-amino-5-chloro-2-methoxy-phenyl)-3-oxo-propyl]piperidin-1-yl]ethyl]methanesulfonamide
  • n-[2-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]-1-piperidinyl]ethyl]methanesulfonamide
  • n-[2-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide
  • tocris-0990
InChIKey UATDVRSFFGFTAI-UHFFFAOYSA-N
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