4-Chloro-N-{[(2R,4S,5R)-5-{[methyl(phenyl)amino]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzenesulfonamide
11068
Reference
4-Chloro-N-{[(2R,4S,5R)-5-{[methyl(phenyl)amino]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzenesulfonamide Structure
Systematic / IUPAC Name: 4-Chloro-N-[[(2R,4S,5R)-5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzenesulfonamide
ID: Reference11068
Other Names: NAT13-339798
Formula: C22H28ClN3O2S
Spectral Data
4-Chloro-N-{[(2R,4S,5R)-5-{[methyl(phenyl)amino]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzenesulfonamide 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 | 774 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/26/2021 10:40:12 AM |
Identificators
| InChI | InChI=1S/C22H28ClN3O2S/c1-25(20-5-3-2-4-6-20)15-18-16-26-12-11-17(18)13-21(26)14-24-29(27,28)22-9-7-19(23)8-10-22/h2-10,17-18,21,24H,11-16H2,1H3/t17-,18-,21+/m0/s1 |
| InChI Key | JXMOFERMXKEWBV-BBTUJRGHSA-N |
| Canonical SMILES | CN(CC1CN2CCC1CC2CNS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT13-339798 |