2-[3-({[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}Amino)Propoxy]-4-{[(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-2-Naphthalenyl)Carbonyl]Amino}Benzoic Acid

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Properties Simple | Detailed

Formula C37H43N3O6S
IUPAC Name 2-[3-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propoxy]-4-[(1,1,4,4-tetramethyltetralin-6-carbonyl)amino]benzoic acid
Molecular Mass 657.819 g·mol−1
Heat of Formation -903.5 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 785.08 Å 3
Surface Area 550.69 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)propoxy)-4-(((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl)amino)benzoic acid
  • 2-(3-(5-dimethylaminonaphthalene-1-sulfonyl)aminopropyl-1-oxyl)-4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carboxamido)benzoic acid
  • 2-[3-[(5-dimethylamino-1-naphthyl)sulfonylamino]propoxy]-4-[(1,1,4,4-tetramethyltetralin-6-carbonyl)amino]benzoic acid
  • 2-[3-[(5-dimethylamino-1-naphthyl)sulfonylamino]propoxy]-4-[[oxo-(1,1,4,4-tetramethyl-6-tetralinyl)methyl]amino]benzoic acid
  • 2-[3-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonylamino]benzoic acid
  • 2-[3-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]propoxy]-4-[(5,5,8,8-tetramethyl6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
  • benzoic acid, 2-(3-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)propoxy)-4-(((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl)amino)-
  • dam-3
CAS Number(s)
  • 137550-88-0
InChIKey KZJWLTIWBMCWGR-UHFFFAOYSA-N
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