![N-[(1S,2S,3R,3aS,6aR)-2-Hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}octahydropentalen-1-yl]-2-methylpropane-2-sulfonamide](/api/spectrum/EQeOnbVXdow/structure.png?h=300&w=458 "N-[(1S,2S,3R,3aS,6aR)-2-Hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}octahydropentalen-1-yl]-2-methylpropane-2-sulfonamide")
| SpectraBase Compound ID | 3R2lUZqMAZM |
|---|---|
| InChI | InChI=1S/C19H30N2O4S2/c1-19(2,3)27(24,25)21-16-14-11-8-12-15(14)18(17(16)22)26(23,20-4)13-9-6-5-7-10-13/h5-7,9-10,14-18,21-22H,8,11-12H2,1-4H3/t14-,15+,16+,17+,18-,26-/m1/s1 |
| InChIKey | DMEHYDYKJKOQRT-RWAQRESVSA-N |
| Mol Weight | 414.58 g/mol |
| Molecular Formula | C19H30N2O4S2 |
| Exact Mass | 414.1647 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EQeOnbVXdow |
|---|---|
| Name | N-[(1S,2S,3R,3aS,6aR)-2-Hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}octahydropentalen-1-yl]-2-methylpropane-2-sulfonamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H30N2O4S2 |
| InChI | InChI=1S/C19H30N2O4S2/c1-19(2,3)27(24,25)21-16-14-11-8-12-15(14)18(17(16)22)26(23,20-4)13-9-6-5-7-10-13/h5-7,9-10,14-18,21-22H,8,11-12H2,1-4H3/t14-,15+,16+,17+,18-,26-/m1/s1 |
| InChIKey | DMEHYDYKJKOQRT-RWAQRESVSA-N |
| Molecular Weight | 414.579 g/mol |
| SMILES | N(S(C(C)(C)C)(=O)=O)[C@@]1([C@@]([C@@]([C@@]2([C@]1(CCC2)[H])[H])([S@](=NC)(=O)c1ccccc1)[H])(O)[H])[H] |
| SPLASH | splash10-0a4i-2900000000-5c1fbbc05355128ee3b3 |
| Source of Spectrum | U1-2011-6001-18 |
| Synonyms | N-[(1S,2S,3R,3aS,6aR)-2-hydroxy-3-(N-methyl-S-phenylsulfonimidoyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2-methyl-2-propanesulfonamide N-[(1S,2S,3R,3aS,6aR)-2-hydroxy-3-(N-methyl-S-phenylsulfonimidoyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2-methylpropane-2-sulfonamide N-[(1S,2S,3R,3aS,6aR)-3-(N-methyl-S-phenyl-sulfonimidoyl)-2-oxidanyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2-methyl-propane-2-sulfonamide |
| Wiley ID | 1688782 |