N-{[(2R,4S,5S)-5-{[Allyl(methyl)amino]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzenesulfonamide
12146
Reference
N-{[(2R,4S,5S)-5-{[Allyl(methyl)amino]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzenesulfonamide Structure
Systematic / IUPAC Name: N-[[(2R,4S,5S)-5-[[Methyl(prop-2-enyl)amino]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzenesulfonamide
ID: Reference12146
Other Names: NAT13-339296
Formula: C19H29N3O2S
Spectral Data
N-{[(2R,4S,5S)-5-{[Allyl(methyl)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 | 773 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/16/2023 5:20:24 PM |
Identificators
| InChI | InChI=1S/C19H29N3O2S/c1-3-10-21(2)14-17-15-22-11-9-16(17)12-18(22)13-20-25(23,24)19-7-5-4-6-8-19/h3-8,16-18,20H,1,9-15H2,2H3/t16-,17-,18+/m0/s1 |
| InChI Key | IFDVFDZTVCKSRL-OKZBNKHCSA-N |
| Canonical SMILES | CN(CC=C)CC1CN2CCC1CC2CNS(=O)(=O)C3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT13-339296 |