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2-Methyl-N-[(3S,3aS,8aS)-8a-({(S)-N-methylphenylsulfonimidoyl}methyl)octahydro-2H-cyclohepta[b]furan-3-yl]propane-2-sulfonamide

View entire compound with spectra: 1 MS (GC)

2-Methyl-N-[(3S,3aS,8aS)-8a-({(S)-N-methylphenylsulfonimidoyl}methyl)octahydro-2H-cyclohepta[b]furan-3-yl]propane-2-sulfonamide
SpectraBase Compound ID 5ZA0izMh4ZB
InChI InChI=1S/C21H34N2O4S2/c1-20(2,3)29(25,26)23-19-15-27-21(14-10-6-9-13-18(19)21)16-28(24,22-4)17-11-7-5-8-12-17/h5,7-8,11-12,18-19,23H,6,9-10,13-16H2,1-4H3/t18-,19+,21+,28-/m0/s1
InChIKey PBDWBVJSLHHFDM-CHHKAKOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C21H34N2O4S2
Exact Mass 442.196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBaokZ9WXlS
Name 2-Methyl-N-[(3S,3aS,8aS)-8a-({(S)-N-methylphenylsulfonimidoyl}methyl)octahydro-2H-cyclohepta[b]furan-3-yl]propane-2-sulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34N2O4S2
InChI InChI=1S/C21H34N2O4S2/c1-20(2,3)29(25,26)23-19-15-27-21(14-10-6-9-13-18(19)21)16-28(24,22-4)17-11-7-5-8-12-17/h5,7-8,11-12,18-19,23H,6,9-10,13-16H2,1-4H3/t18-,19+,21+,28-/m0/s1
InChIKey PBDWBVJSLHHFDM-CHHKAKOYSA-N
Molecular Weight 442.633 g/mol
SMILES N(S(C(C)(C)C)(=O)=O)[C@]1([C@]2([C@](C[S@](=NC)(=O)c3ccccc3)(CCCCC2)OC1)[H])[H]
SPLASH splash10-0a4i-4900000000-9572eb082572b5cf7c66
Source of Spectrum U1-2011-6003-30
Synonyms N-[(3S,3aS,8aS)-8a-[(N-methyl-S-phenylsulfonimidoyl)methyl]-2,3,3a,4,5,6,7,8-octahydrocyclohepta[b]furan-3-yl]-2-methyl-2-propanesulfonamide N-[(3S,3aS,8aS)-8a-[(N-methyl-S-phenylsulfonimidoyl)methyl]-2,3,3a,4,5,6,7,8-octahydrocyclohepta[b]furan-3-yl]-2-methylpropane-2-sulfonamide
Wiley ID 1688728