4-Chloro-N-{[(2R,3S,4R,5S)-3,4-dihydroxy-5-{2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl}tetrahydro-2-furanyl]methyl}benzenesulfonamide
9418
Reference
4-Chloro-N-{[(2R,3S,4R,5S)-3,4-dihydroxy-5-{2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl}tetrahydro-2-furanyl]methyl}benzenesulfonamide Structure
Systematic / IUPAC Name: 4-Chloro-N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]benzenesulfonamide
ID: Reference9418
Other Names: NAT19-353867
Formula: C19H27ClN2O7S
Spectral Data
4-Chloro-N-{[(2R,3S,4R,5S)-3,4-dihydroxy-5-{2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl}tetrahydro-2-furanyl]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 | 2313 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/28/2020 11:37:08 AM |
Identificators
| InChI | InChI=1S/C19H27ClN2O7S/c1-28-11-13-3-2-8-22(13)17(23)9-15-18(24)19(25)16(29-15)10-21-30(26,27)14-6-4-12(20)5-7-14/h4-7,13,15-16,18-19,21,24-25H,2-3,8-11H2,1H3/t13-,15+,16-,18+,19-/m1/s1 |
| InChI Key | CECGVUNHYJFDGX-NWQKTKJLSA-N |
| Canonical SMILES | COCC1CCCN1C(=O)CC2C(C(C(O2)CNS(=O)(=O)C3=CC=C(C=C3)Cl)O)O |
| CAS | |
| Splash | |
| Other Names | NAT19-353867 |