![(S)-Ethyl 2-(1,1-Dimethylethylsulfonamido)-2-[(1R,2S)-2-({(S)-N-methylphenyl-sulfonimidoyl}methyl)cyclohexyl]acetate](/api/spectrum/EpJXkiCHGOB/structure.png?h=300&w=458 "(S)-Ethyl 2-(1,1-Dimethylethylsulfonamido)-2-[(1R,2S)-2-({(S)-N-methylphenyl-sulfonimidoyl}methyl)cyclohexyl]acetate")
| SpectraBase Compound ID | 5AeQHqicOcZ |
|---|---|
| InChI | InChI=1S/C22H36N2O5S2/c1-6-29-21(25)20(24-31(27,28)22(2,3)4)19-15-11-10-12-17(19)16-30(26,23-5)18-13-8-7-9-14-18/h7-9,13-14,17,19-20,24H,6,10-12,15-16H2,1-5H3/t17?,19-,20+,30+/m1/s1 |
| InChIKey | RZGGAMNXTAOHJK-WKRDHVTKSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C22H36N2O5S2 |
| Exact Mass | 472.206565 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EpJXkiCHGOB |
|---|---|
| Name | (S)-Ethyl 2-(1,1-Dimethylethylsulfonamido)-2-[(1R,2S)-2-({(S)-N-methylphenyl-sulfonimidoyl}methyl)cyclohexyl]acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36N2O5S2 |
| InChI | InChI=1S/C22H36N2O5S2/c1-6-29-21(25)20(24-31(27,28)22(2,3)4)19-15-11-10-12-17(19)16-30(26,23-5)18-13-8-7-9-14-18/h7-9,13-14,17,19-20,24H,6,10-12,15-16H2,1-5H3/t17?,19-,20+,30+/m1/s1 |
| InChIKey | RZGGAMNXTAOHJK-WKRDHVTKSA-N |
| Molecular Weight | 472.659 g/mol |
| SMILES | N([C@@]([C@]1(C(C[S@](=NC)(=O)c2ccccc2)CCCC1)[H])(C(=O)OCC)[H])S(C(C)(C)C)(=O)=O |
| SPLASH | splash10-0aba-1911000000-73033948a665dcf2a1d3 |
| Source of Spectrum | U1-2011-6000-4 |
| Wiley ID | 1688788 |