![N-[(1S,2S,3R,3aS,6aR)-2-Hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}decahydroazulen-1-yl]-2-methylpropane-2-sulfonamide](/api/spectrum/1iHH0mgn78w/structure.png?h=300&w=458 "N-[(1S,2S,3R,3aS,6aR)-2-Hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}decahydroazulen-1-yl]-2-methylpropane-2-sulfonamide")
| SpectraBase Compound ID | 17kWib4A3S |
|---|---|
| InChI | InChI=1S/C21H34N2O4S2/c1-21(2,3)29(26,27)23-18-16-13-9-6-10-14-17(16)20(19(18)24)28(25,22-4)15-11-7-5-8-12-15/h5,7-8,11-12,16-20,23-24H,6,9-10,13-14H2,1-4H3/t16-,17+,18+,19+,20-,28?/m1/s1 |
| InChIKey | CIJPAAZDTJIEKF-RHWCAZTQSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C21H34N2O4S2 |
| Exact Mass | 442.196 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1iHH0mgn78w |
|---|---|
| Name | N-[(1S,2S,3R,3aS,6aR)-2-Hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}decahydroazulen-1-yl]-2-methylpropane-2-sulfonamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34N2O4S2 |
| InChI | InChI=1S/C21H34N2O4S2/c1-21(2,3)29(26,27)23-18-16-13-9-6-10-14-17(16)20(19(18)24)28(25,22-4)15-11-7-5-8-12-15/h5,7-8,11-12,16-20,23-24H,6,9-10,13-14H2,1-4H3/t16-,17+,18+,19+,20-,28?/m1/s1 |
| InChIKey | CIJPAAZDTJIEKF-RHWCAZTQSA-N |
| Molecular Weight | 442.633 g/mol |
| SMILES | N(S(C(C)(C)C)(=O)=O)[C@@]1([C@@]([C@@]([C@@]2([C@]1(CCCCC2)[H])[H])(S(=NC)(=O)c1ccccc1)[H])(O)[H])[H] |
| SPLASH | splash10-0aor-4900000000-a2f62ea3a98ff0d681ca |
| Source of Spectrum | U1-2011-6002-21 |
| Wiley ID | 1688780 |