| Formula |
C21H22ClN3O3S |
| IUPAC Name |
n-[[(2s,4r)-4-[(4-chlorophenyl)methoxy]pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide |
| Molecular Mass |
431.936 g·mol−1 |
| Heat of Formation |
-222.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.00 ± 1.08 D |
| Volume |
490.0 Å 3 |
| Surface Area |
421.72 Å 2 |
| HOMO Energy |
-9.41 ± 0.55 eV |
| LUMO Energy |
-1.63 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (4r,2s)-5'-(4-(4-chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
- cqp
- n-[[(2s,4r)-4-(4-chlorobenzyl)oxypyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
- n-[[(2s,4r)-4-[(4-chlorophenyl)methoxy]-2-pyrrolidinyl]methyl]-5-isoquinolinesulfonamide
- n-[[(2s,4r)-4-[(4-chlorophenyl)methoxy]pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
|
| InChIKey |
RLNNFNGBXLTQOB-RBUKOAKNSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
C
Cl
H
O
N
S
|
| |
|
