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2-Methyl-N-[(3S,3aS,7aS)-7a-({(S)-N-methylphenylsulfonimidoyl}methyl)octa-hydrobenzofuran-3-yl]propane-2-sulfonamide
SpectraBase Compound ID mqSb4aIPIF
InChI InChI=1S/C20H32N2O4S2/c1-19(2,3)28(24,25)22-18-14-26-20(13-9-8-12-17(18)20)15-27(23,21-4)16-10-6-5-7-11-16/h5-7,10-11,17-18,22H,8-9,12-15H2,1-4H3/t17-,18+,20+,27-/m0/s1
InChIKey MPWNFOYNPKBXSN-UAKCOAKASA-N
Mol Weight 428.6 g/mol
Molecular Formula C20H32N2O4S2
Exact Mass 428.18035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3rf7HHMT8i
Name 2-Methyl-N-[(3S,3aS,7aS)-7a-({(S)-N-methylphenylsulfonimidoyl}methyl)octa-hydrobenzofuran-3-yl]propane-2-sulfonamide
Alternate Name(s) N-[(3S,3aS,7aS)-7a-[(N-methyl-S-phenylsulfonimidoyl)methyl]-3,3a,4,5,6,7-hexahydro-2H-benzofuran-3-yl]-2-methyl-2-propanesulfonamide N-[(3S,3aS,7aS)-7a-[(N-methyl-S-phenylsulfonimidoyl)methyl]-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran-3-yl]-2-methylpropane-2-sulfonamide N-[(3S,3aS,7aS)-7a-[(N-methyl-S-phenyl-sulfonimidoyl)methyl]-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran-3-yl]-2-methyl-propane-2-sulfonamide
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Formula C20H32N2O4S2
InChI InChI=1S/C20H32N2O4S2/c1-19(2,3)28(24,25)22-18-14-26-20(13-9-8-12-17(18)20)15-27(23,21-4)16-10-6-5-7-11-16/h5-7,10-11,17-18,22H,8-9,12-15H2,1-4H3/t17-,18+,20+,27-/m0/s1
InChIKey MPWNFOYNPKBXSN-UAKCOAKASA-N
Molecular Weight 428.606 g/mol
SMILES N(S(C(C)(C)C)(=O)=O)[C@]1([C@]2([C@](C[S@](=NC)(=O)c3ccccc3)(CCCC2)OC1)[H])[H]
SPLASH splash10-05fu-2910000000-bab3d6b03b301234cf63
Source of Spectrum U1-2011-6003-28
Wiley ID 1688731