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(1S,2S)-2-[N-(2-Hydroxy-3-methyloxybenzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane

View entire compound with spectra: 1 MS (GC)

(1S,2S)-2-[N-(2-Hydroxy-3-methyloxybenzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane
SpectraBase Compound ID 5KiPv8yu3P
InChI InChI=1S/C21H26N2O4S/c1-15-10-12-17(13-11-15)28(25,26)23-19-8-4-3-7-18(19)22-14-16-6-5-9-20(27-2)21(16)24/h5-6,9-14,18-19,23-24H,3-4,7-8H2,1-2H3/b22-14+/t18-,19-/m0/s1
InChIKey OMGTVOBUDGGQFH-ODTZSZHUSA-N
Mol Weight 402.51 g/mol
Molecular Formula C21H26N2O4S
Exact Mass 402.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFwLCHQFOmn
Name (1S,2S)-2-[N-(2-Hydroxy-3-methyloxybenzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane
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Formula C21H26N2O4S
InChI InChI=1S/C21H26N2O4S/c1-15-10-12-17(13-11-15)28(25,26)23-19-8-4-3-7-18(19)22-14-16-6-5-9-20(27-2)21(16)24/h5-6,9-14,18-19,23-24H,3-4,7-8H2,1-2H3/b22-14+/t18-,19-/m0/s1
InChIKey OMGTVOBUDGGQFH-ODTZSZHUSA-N
Molecular Weight 402.509 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]1([C@@](\N=C\c2c(c(ccc2)OC)O)(CCCC1)[H])[H]
SPLASH splash10-0udi-3410900000-99dc3c0d7945b018daaf
Source of Spectrum QC-9-4141-7
Synonyms N-((1S,2S)-2-{[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]amino}cyclohexyl)-4-methylbenzenesulfonamide trans-2-[N-(2-Hydroxy-3-methyloxybenzylidene)amino]-1-[N-(4-methylphenylsulfonyl)amino]cyclohexane
Wiley ID 870884