N-{[(2R,4S,5R)-5-{3-[4-(Dimethylamino)phenyl]-1-methyl-1H-pyrazol-5-yl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2,5-dimethoxybenzenesulfonamide
12108
Reference
N-{[(2R,4S,5R)-5-{3-[4-(Dimethylamino)phenyl]-1-methyl-1H-pyrazol-5-yl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2,5-dimethoxybenzenesulfonamide Structure
Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-[5-[4-(Dimethylamino)phenyl]-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
ID: Reference12108
Other Names: NAT13-332454
Formula: C28H37N5O4S
Spectral Data
N-{[(2R,4S,5R)-5-{3-[4-(Dimethylamino)phenyl]-1-methyl-1H-pyrazol-5-yl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2,5-dimethoxybenzenesulfonamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2317 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/12/2023 8:38:50 AM |
Identificators
| InChI | InChI=1S/C28H37N5O4S/c1-31(2)21-8-6-19(7-9-21)25-16-26(32(3)30-25)24-18-33-13-12-20(24)14-22(33)17-29-38(34,35)28-15-23(36-4)10-11-27(28)37-5/h6-11,15-16,20,22,24,29H,12-14,17-18H2,1-5H3/t20-,22+,24-/m0/s1 |
| InChI Key | SXPBRHKAUOTXPX-FJIJXJHWSA-N |
| Canonical SMILES | CN1C(=CC(=N1)C2=CC=C(C=C2)N(C)C)C3CN4CCC3CC4CNS(=O)(=O)C5=C(C=CC(=C5)OC)OC |
| CAS | |
| Splash | |
| Other Names | NAT13-332454 |