(3R,5S)-5-(3-{[(4-Methylphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-1-(3-pyridinylmethyl)-3-pyrrolidinol
11093
Reference
(3R,5S)-5-(3-{[(4-Methylphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-1-(3-pyridinylmethyl)-3-pyrrolidinol Structure
Systematic / IUPAC Name: (3R,5S)-5-[3-[(4-Methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
ID: Reference11093
Other Names: NAT18-349161
Formula: C20H22N4O4S
Spectral Data
(3R,5S)-5-(3-{[(4-Methylphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-1-(3-pyridinylmethyl)-3-pyrrolidinol 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 | 740 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/3/2021 12:45:00 PM |
Identificators
| InChI | InChI=1S/C20H22N4O4S/c1-14-4-6-17(7-5-14)29(26,27)13-19-22-20(28-23-19)18-9-16(25)12-24(18)11-15-3-2-8-21-10-15/h2-8,10,16,18,25H,9,11-13H2,1H3/t16-,18+/m1/s1 |
| InChI Key | SQBFWWUJSDRJIB-AEFFLSMTSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)C3CC(CN3CC4=CN=CC=C4)O |
| CAS | |
| Splash | |
| Other Names | NAT18-349161 |