N-{[(2R,4S,5R)-5-{[Methyl(phenyl)amino]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzenesulfonamide
11067
Reference
N-{[(2R,4S,5R)-5-{[Methyl(phenyl)amino]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzenesulfonamide Structure
Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-[(N-Methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzenesulfonamide
ID: Reference11067
Other Names: NAT13-339796
Formula: C22H29N3O2S
Spectral Data
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 | 706 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/26/2021 10:34:29 AM |
Identificators
| InChI | InChI=1S/C22H29N3O2S/c1-24(20-8-4-2-5-9-20)16-19-17-25-13-12-18(19)14-21(25)15-23-28(26,27)22-10-6-3-7-11-22/h2-11,18-19,21,23H,12-17H2,1H3/t18-,19-,21+/m0/s1 |
| InChI Key | ACHDRDKJHOBRLK-IRFCIJBXSA-N |
| Canonical SMILES | CN(CC1CN2CCC1CC2CNS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT13-339796 |