Systematic / IUPAC Name: (3R,5S)-5-[3-[(4-Fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-1-(thiophen-2-ylmethyl)pyrrolidin-3-ol
ID: Reference9438
Other Names:
3-Pyrrolidinol, 5-[3-[[(4-fluorophenyl)sulfonyl]methyl]-1,2,4-oxadiazol-5-yl]-1-(2-thienylmethyl)-, (3R,5S)-;
NAT18-348381
Formula: C18H18FN3O4S2
(3R,5S)-5-(3-{[(4-Fluorophenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-1-(2-thienylmethyl)-3-pyrrolidinol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 1075 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 2/28/2020 12:26:00 PM |
InChI | InChI=1S/C18H18FN3O4S2/c19-12-3-5-15(6-4-12)28(24,25)11-17-20-18(26-21-17)16-8-13(23)9-22(16)10-14-2-1-7-27-14/h1-7,13,16,23H,8-11H2/t13-,16+/m1/s1 |
InChI Key | SWXXZYSOBLRVLQ-CJNGLKHVSA-N |
Canonical SMILES | C1C(CN(C1C2=NC(=NO2)CS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CS4)O |
CAS | |
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Other Names |
3-Pyrrolidinol, 5-[3-[[(4-fluorophenyl)sulfonyl]methyl]-1,2,4-oxadiazol-5-yl]-1-(2-thienylmethyl)-, (3R,5S)-; NAT18-348381 |