![Ethyl (E,Ss,2S,3R)-[2-(N-methyl-S-phenylsulfonimidoyl)methylene]cycloheptyl}-(2'-methylpropane-2'-sulfonylamino)-acetate](/api/spectrum/FADZcrABjzA/structure.png?h=300&w=458 "Ethyl (E,Ss,2S,3R)-[2-(N-methyl-S-phenylsulfonimidoyl)methylene]cycloheptyl}-(2'-methylpropane-2'-sulfonylamino)-acetate")
| SpectraBase Compound ID | EBAMrPz0QiO |
|---|---|
| InChI | InChI=1S/C23H36N2O5S2/c1-6-30-22(26)21(25-32(28,29)23(2,3)4)20-16-12-7-9-13-18(20)17-31(27,24-5)19-14-10-8-11-15-19/h8,10-11,14-15,17,20-21,25H,6-7,9,12-13,16H2,1-5H3/b18-17+/t20-,21+,31?/m1/s1 |
| InChIKey | VQFUTPKZTVJRIA-LXZDGHHRSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C23H36N2O5S2 |
| Exact Mass | 484.206565 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FADZcrABjzA |
|---|---|
| Name | Ethyl (E,Ss,2S,3R)-[2-(N-methyl-S-phenylsulfonimidoyl)methylene]cycloheptyl}-(2'-methylpropane-2'-sulfonylamino)-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36N2O5S2 |
| InChI | InChI=1S/C23H36N2O5S2/c1-6-30-22(26)21(25-32(28,29)23(2,3)4)20-16-12-7-9-13-18(20)17-31(27,24-5)19-14-10-8-11-15-19/h8,10-11,14-15,17,20-21,25H,6-7,9,12-13,16H2,1-5H3/b18-17+/t20-,21+,31?/m1/s1 |
| InChIKey | VQFUTPKZTVJRIA-LXZDGHHRSA-N |
| Molecular Weight | 484.670 g/mol |
| SMILES | N([C@@]([C@]1(\C(=C\S(=NC)(=O)c2ccccc2)CCCCC1)[H])(C(=O)OCC)[H])S(C(C)(C)C)(=O)=O |
| SPLASH | splash10-001i-0970000000-2a32a7f4e760da515786 |
| Source of Spectrum | C-125-13250-E-4b |
| Wiley ID | 1701184 |