![N-[(1S,2R,3R,3aS,7aR)-2-Hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}octa-hydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide](/api/spectrum/AMNfhM2gHpY/structure.png?h=300&w=458 "N-[(1S,2R,3R,3aS,7aR)-2-Hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}octa-hydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide")
| SpectraBase Compound ID | CIDeuqT3GbV |
|---|---|
| InChI | InChI=1S/C20H32N2O4S2/c1-20(2,3)28(25,26)22-17-15-12-8-9-13-16(15)19(18(17)23)27(24,21-4)14-10-6-5-7-11-14/h5-7,10-11,15-19,22-23H,8-9,12-13H2,1-4H3/t15-,16+,17+,18-,19-,27-/m1/s1 |
| InChIKey | BIKAAXUFDOZWLV-YZOBADSCSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C20H32N2O4S2 |
| Exact Mass | 428.18035 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AMNfhM2gHpY |
|---|---|
| Name | N-[(1S,2R,3R,3aS,7aR)-2-Hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}octa-hydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32N2O4S2 |
| InChI | InChI=1S/C20H32N2O4S2/c1-20(2,3)28(25,26)22-17-15-12-8-9-13-16(15)19(18(17)23)27(24,21-4)14-10-6-5-7-11-14/h5-7,10-11,15-19,22-23H,8-9,12-13H2,1-4H3/t15-,16+,17+,18-,19-,27-/m1/s1 |
| InChIKey | BIKAAXUFDOZWLV-YZOBADSCSA-N |
| Molecular Weight | 428.606 g/mol |
| SMILES | N(S(C(C)(C)C)(=O)=O)[C@@]1([C@]([C@@]([C@@]2([C@]1(CCCC2)[H])[H])([S@](=NC)(=O)c1ccccc1)[H])(O)[H])[H] |
| SPLASH | splash10-0a4i-1900000000-917dd01999c1ba0e2b00 |
| Source of Spectrum | U1-2011-6000-5 |
| Synonyms | N-[(1S,2R,3R,3aS,7aR)-2-hydroxy-3-(N-methyl-S-phenylsulfonimidoyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-methyl-2-propanesulfonamide N-[(1S,2R,3R,3aS,7aR)-2-hydroxy-3-(N-methyl-S-phenylsulfonimidoyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide N-[(1S,2R,3R,3aS,7aR)-3-(N-methyl-S-phenyl-sulfonimidoyl)-2-oxidanyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-methyl-propane-2-sulfonamide |
| Wiley ID | 1688787 |