Formula |
C36H40N4O6S2 |
IUPAC Name |
4-(4-benzyl-4-methoxy-1-piperidyl)-n-[4-[(1,1-dimethyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-benzamide |
Molecular Mass |
688.856 g·mol−1 |
Heat of Formation |
-421.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
12.38 ± 1.08 D |
Volume |
808.23 Å 3 |
Surface Area |
599.84 Å 2 |
HOMO Energy |
-8.56 ± 0.55 eV |
LUMO Energy |
-1.29 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-[4-(benzyl)-4-methoxy-1-piperidyl]-n-[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide
- 4-[4-methoxy-4-(phenylmethyl)piperidin-1-yl]-n-[4-[(2-methyl-1-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide
- li0
- n-[4-[(1,1-dimethyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-4-[4-methoxy-4-(phenylmethyl)-1-piperidyl]benzamide
- n-[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitrophenyl]sulfonyl-4-[4-methoxy-4-(phenylmethyl)-1-piperidinyl]benzamide
|
InChIKey |
REQAXYXBBHHBCA-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
S
O
N
|
|
|