(4-(4-((Benzyl(2-Methyl-3-((Methylsulfonyl)Amino)Phenyl)Amino)Methyl)Phenoxy)Phenoxy)Acetic Acid

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Properties Simple | Detailed

Formula C30H30N2O6S
IUPAC Name 2-[4-[4-[[n-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]acetic acid
Molecular Mass 546.634 g·mol−1
Heat of Formation -635.3 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 642.64 Å 3
Surface Area 523.86 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[4-[[(3-methanesulfonamido-2-methyl-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenoxy]acetic acid
  • 2-[4-[4-[[(3-methanesulfonamido-2-methylphenyl)-(phenylmethyl)amino]methyl]phenoxy]phenoxy]acetic acid
  • 2-[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]ethanoic acid
  • 2-[4-[4-[[benzyl-(3-methanesulfonamido-2-methyl-phenyl)amino]methyl]phenoxy]phenoxy]acetic acid
InChIKey AJAOWKDQDBTLKO-UHFFFAOYSA-N
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