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
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Synonyms
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- 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
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InChIKey |
AJAOWKDQDBTLKO-UHFFFAOYSA-N |
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Links |
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Elements |
H
S
C
O
N
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