![(S)-N-Benzoyl-4-toluenesulfonimid-N'-[(1R,2R)-2-acetylaminocyclohexyl]amide](/api/spectrum/CO7QceJ1PuY/structure.png?h=300&w=458 "(S)-N-Benzoyl-4-toluenesulfonimid-N'-[(1R,2R)-2-acetylaminocyclohexyl]amide")
| SpectraBase Compound ID | 4bKrf3jX9Mz |
|---|---|
| InChI | InChI=1S/C22H27N3O3S/c1-16-12-14-19(15-13-16)29(28,25-22(27)18-8-4-3-5-9-18)24-21-11-7-6-10-20(21)23-17(2)26/h3-5,8-9,12-15,20-21H,6-7,10-11H2,1-2H3,(H,23,26)(H,24,25,27,28)/t20-,21-,29+/m1/s1 |
| InChIKey | NODVWJPSVVERBY-RLCGNTSFSA-N |
| Mol Weight | 413.54 g/mol |
| Molecular Formula | C22H27N3O3S |
| Exact Mass | 413.177313 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CO7QceJ1PuY |
|---|---|
| Name | (S)-N-Benzoyl-4-toluenesulfonimid-N'-[(1R,2R)-2-acetylaminocyclohexyl]amide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H27N3O3S |
| InChI | InChI=1S/C22H27N3O3S/c1-16-12-14-19(15-13-16)29(28,25-22(27)18-8-4-3-5-9-18)24-21-11-7-6-10-20(21)23-17(2)26/h3-5,8-9,12-15,20-21H,6-7,10-11H2,1-2H3,(H,23,26)(H,24,25,27,28)/t20-,21-,29+/m1/s1 |
| InChIKey | NODVWJPSVVERBY-RLCGNTSFSA-N |
| Literature Reference DOI | 10.1021/jo100326x |
| Molecular Weight | 413.536 g/mol |
| SMILES | N([C@]1([C@](N[S@](=O)(=NC(=O)c2ccccc2)c2ccc(cc2)C)(CCCC1)[H])[H])C(C)=O |
| SPLASH | splash10-0a4i-5900000000-381f5368b007b784a973 |
| Source of Spectrum | J-75-3308-(S,R,R)_4k |
| Wiley ID | 1746549 |