(3R,5S)-1-(4-Chlorobenzyl)-5-(3-{[(4-methylphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-3-pyrrolidinol
11094
Reference
(3R,5S)-1-(4-Chlorobenzyl)-5-(3-{[(4-methylphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-3-pyrrolidinol Structure
Systematic / IUPAC Name: (3R,5S)-1-[(4-Chlorophenyl)methyl]-5-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
ID: Reference11094
Other Names: NAT18-349137
Formula: C21H22ClN3O4S
Spectral Data
(3R,5S)-1-(4-Chlorobenzyl)-5-(3-{[(4-methylphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-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 | 590 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/3/2021 12:51:13 PM |
Identificators
| InChI | InChI=1S/C21H22ClN3O4S/c1-14-2-8-18(9-3-14)30(27,28)13-20-23-21(29-24-20)19-10-17(26)12-25(19)11-15-4-6-16(22)7-5-15/h2-9,17,19,26H,10-13H2,1H3/t17-,19+/m1/s1 |
| InChI Key | XJTNSVOLUQHSPF-MJGOQNOKSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)C3CC(CN3CC4=CC=C(C=C4)Cl)O |
| CAS | |
| Splash | |
| Other Names | NAT18-349137 |