![(S)-N-Benzoyl-4-toluenesulfonimid-N'-[(1R,2R)-2-piperidin-1-yl-cyclohexyl]amide](/api/spectrum/Kzl8bfnhVom/structure.png?h=300&w=458 "(S)-N-Benzoyl-4-toluenesulfonimid-N'-[(1R,2R)-2-piperidin-1-yl-cyclohexyl]amide")
| SpectraBase Compound ID | JX7N0TShuUh |
|---|---|
| InChI | InChI=1S/C25H33N3O2S/c1-20-14-16-22(17-15-20)31(30,27-25(29)21-10-4-2-5-11-21)26-23-12-6-7-13-24(23)28-18-8-3-9-19-28/h2,4-5,10-11,14-17,23-24H,3,6-9,12-13,18-19H2,1H3,(H,26,27,29,30)/t23-,24-,31+/m1/s1 |
| InChIKey | XDNGKDOIQQPBFU-GQIGMWPISA-N |
| Mol Weight | 439.6 g/mol |
| Molecular Formula | C25H33N3O2S |
| Exact Mass | 439.229348 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Kzl8bfnhVom |
|---|---|
| Name | (S)-N-Benzoyl-4-toluenesulfonimid-N'-[(1R,2R)-2-piperidin-1-yl-cyclohexyl]amide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H33N3O2S |
| InChI | InChI=1S/C25H33N3O2S/c1-20-14-16-22(17-15-20)31(30,27-25(29)21-10-4-2-5-11-21)26-23-12-6-7-13-24(23)28-18-8-3-9-19-28/h2,4-5,10-11,14-17,23-24H,3,6-9,12-13,18-19H2,1H3,(H,26,27,29,30)/t23-,24-,31+/m1/s1 |
| InChIKey | XDNGKDOIQQPBFU-GQIGMWPISA-N |
| Literature Reference DOI | 10.1021/jo100326x |
| Molecular Weight | 439.618 g/mol |
| SMILES | N([C@]1([C@@](CCCC1)(N1CCCCC1)[H])[H])[S@](=O)(=NC(c1ccccc1)=O)c1ccc(C)cc1 |
| SPLASH | splash10-001i-2900000000-198a68852a8a0601b861 |
| Source of Spectrum | J-75-3307-(S,R,R)_4d |
| Wiley ID | 1746546 |