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2-[(S)-(4-methoxyphenyl)-oxidanyl-methyl]-N-methyl-N-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]benzenesulfonamide
SpectraBase Compound ID yzLGTEbzaP
InChI InChI=1S/C20H27NO5S/c1-14(2)18(13-22)21(3)27(24,25)19-8-6-5-7-17(19)20(23)15-9-11-16(26-4)12-10-15/h5-12,14,18,20,22-23H,13H2,1-4H3/t18-,20+/m1/s1
InChIKey TWVLFSLMMYXNKG-QUCCMNQESA-N
Mol Weight 393.5 g/mol
Molecular Formula C20H27NO5S
Exact Mass 393.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ct9NFnXdzQf
Name 2-[(S)-(4-methoxyphenyl)-oxidanyl-methyl]-N-methyl-N-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C20H27NO5S
InChI InChI=1S/C20H27NO5S/c1-14(2)18(13-22)21(3)27(24,25)19-8-6-5-7-17(19)20(23)15-9-11-16(26-4)12-10-15/h5-12,14,18,20,22-23H,13H2,1-4H3/t18-,20+/m1/s1
InChIKey TWVLFSLMMYXNKG-QUCCMNQESA-N
Molecular Weight 393.498 g/mol
SMILES OC[C@@](N(S(c1c([C@](c2ccc(cc2)OC)(O)[H])cccc1)(=O)=O)C)(C(C)C)[H]
SPLASH splash10-03di-0009000000-9126b385c2d2195cbfa1
Source of Spectrum E1-39-263-3
Synonyms 2-[(S)-hydroxy-(4-methoxyphenyl)methyl]-N-methyl-N-[(1S)-2-methyl-1-methylol-propyl]benzenesulfonamide 2-[(S)-hydroxy-(4-methoxyphenyl)methyl]-N-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-N-methyl-benzenesulfonamide 2-[(S)-hydroxy-(4-methoxyphenyl)methyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylbenzenesulfonamide
Wiley ID 1518702