4-(4-Benzyl-4-Methoxy-1-Piperidinyl)-N-[(4-{[2-Methyl-1-(Phenylsulfanyl)-2-Propanyl]Amino}-3-Nitrophenyl)Sulfonyl]Benzamide

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Properties Simple | Detailed

Formula C36H40N4O6S2
IUPAC Name 4-(4-benzyl-4-methoxy-1-piperidyl)-n-[4-[(1,1-dimethyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-benzamide
Molecular Mass 688.856 g·mol−1
Heat of Formation -421.5 ± 16.7 kJ·mol−1
Dipole Moment 12.38 ± 1.08 D
Volume 808.23 Å 3
Surface Area 599.84 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-(benzyl)-4-methoxy-1-piperidyl]-n-[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide
  • 4-[4-methoxy-4-(phenylmethyl)piperidin-1-yl]-n-[4-[(2-methyl-1-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide
  • li0
  • n-[4-[(1,1-dimethyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-4-[4-methoxy-4-(phenylmethyl)-1-piperidyl]benzamide
  • n-[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitrophenyl]sulfonyl-4-[4-methoxy-4-(phenylmethyl)-1-piperidinyl]benzamide
InChIKey REQAXYXBBHHBCA-UHFFFAOYSA-N
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