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

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Formula C30H36N4O5S2
IUPAC Name n-[4-[(1,1-dimethyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethyl-1-piperidyl)benzamide
Molecular Mass 596.761 g·mol−1
Heat of Formation -409.8 ± 16.7 kJ·mol−1
Dipole Moment 10.82 ± 1.08 D
Volume 707.75 Å 3
Surface Area 515.67 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4,4-dimethylpiperidin-1-yl)-n-[4-[(2-methyl-1-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide
  • liu
  • n-[4-[(1,1-dimethyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethyl-1-piperidyl)benzamide
  • n-[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethyl-1-piperidyl)benzamide
  • n-[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitrophenyl]sulfonyl-4-(4,4-dimethyl-1-piperidinyl)benzamide
InChIKey FQHHQKOASLDQEQ-UHFFFAOYSA-N
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