![Ethyl (E,Ss,2S,3R)-{[2-(N-methyl-S-phenylsulfonimidoyl)methylene]cyclooctyl}-(2'-methylpropane-2'-sulfonylamino)-acetate](/api/spectrum/EGCJqSyo5Sb/structure.png?h=300&w=458 "Ethyl (E,Ss,2S,3R)-{[2-(N-methyl-S-phenylsulfonimidoyl)methylene]cyclooctyl}-(2'-methylpropane-2'-sulfonylamino)-acetate")
| SpectraBase Compound ID | EGJeN6YTkwb |
|---|---|
| InChI | InChI=1S/C24H38N2O5S2/c1-6-31-23(27)22(26-33(29,30)24(2,3)4)21-17-13-8-7-10-14-19(21)18-32(28,25-5)20-15-11-9-12-16-20/h9,11-12,15-16,18,21-22,26H,6-8,10,13-14,17H2,1-5H3/b19-18+/t21-,22+,32?/m1/s1 |
| InChIKey | ZBRWFGXREZZDSE-UANYIJQUSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C24H38N2O5S2 |
| Exact Mass | 498.222215 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EGCJqSyo5Sb |
|---|---|
| Name | Ethyl (E,Ss,2S,3R)-{[2-(N-methyl-S-phenylsulfonimidoyl)methylene]cyclooctyl}-(2'-methylpropane-2'-sulfonylamino)-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H38N2O5S2 |
| InChI | InChI=1S/C24H38N2O5S2/c1-6-31-23(27)22(26-33(29,30)24(2,3)4)21-17-13-8-7-10-14-19(21)18-32(28,25-5)20-15-11-9-12-16-20/h9,11-12,15-16,18,21-22,26H,6-8,10,13-14,17H2,1-5H3/b19-18+/t21-,22+,32?/m1/s1 |
| InChIKey | ZBRWFGXREZZDSE-UANYIJQUSA-N |
| Molecular Weight | 498.697 g/mol |
| SMILES | N([C@@]([C@]1(\C(=C\S(=NC)(=O)c2ccccc2)CCCCCC1)[H])(C(=O)OCC)[H])S(C(C)(C)C)(=O)=O |
| SPLASH | splash10-0002-0950000000-d2706f660eb9957b6d32 |
| Source of Spectrum | C-125-13250-E-4c |
| Wiley ID | 1701182 |