3-Cyano-N-[(2S)-2-(3,4-Dichlorophenyl)-4-(4-{2-[(S)-Methylsulfinyl]Phenyl}-1-Piperidinyl)Butyl]-N-Methyl-1-Naphthamide

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Properties Simple | Detailed

Formula C35H35Cl2N3O2S
IUPAC Name ammonia; n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]-1-piperidyl]butyl]-n-methyl-acetamide
Molecular Mass 632.642 g·mol−1
Heat of Formation 48.9 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 741.39 Å 3
Surface Area 571.73 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
Synonyms
  • 3-cyano-n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]-1-piperidinyl]butyl]-n-methyl-1-naphthalenecarboxamide
  • 3-cyano-n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]-1-piperidyl]butyl]-n-methyl-1-naphthamide
  • 3-cyano-n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]-1-piperidyl]butyl]-n-methyl-naphthalene-1-carboxamide
  • 3-cyano-n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-n-methyl-naphthalene-1-carboxamide
  • 3-cyano-n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-n-methylnaphthalene-1-carboxamide
InChIKey SJHZTGDJTIZMSK-KPRDSAADSA-N
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