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trans-[2-(4-methylphenylsulfonylamino)-1-(3,4-methylenedioxy-phenyl)-cyclohexyl]-methanol
SpectraBase Compound ID KI0qDUKkvex
InChI InChI=1S/C21H25NO5S/c1-15-5-8-17(9-6-15)28(24,25)22-20-4-2-3-11-21(20,13-23)16-7-10-18-19(12-16)27-14-26-18/h5-10,12,20,22-23H,2-4,11,13-14H2,1H3/t20-,21-/m0/s1
InChIKey WQFDJVZSGZGPBO-SFTDATJTSA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54iKThylOMl
Name trans-[2-(4-methylphenylsulfonylamino)-1-(3,4-methylenedioxy-phenyl)-cyclohexyl]-methanol
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Formula C21H25NO5S
InChI InChI=1S/C21H25NO5S/c1-15-5-8-17(9-6-15)28(24,25)22-20-4-2-3-11-21(20,13-23)16-7-10-18-19(12-16)27-14-26-18/h5-10,12,20,22-23H,2-4,11,13-14H2,1H3/t20-,21-/m0/s1
InChIKey WQFDJVZSGZGPBO-SFTDATJTSA-N
Literature Reference DOI 10.1002/cjoc.20040221024
Molecular Weight 403.493 g/mol
SMILES N([C@@]1([C@](CO)(CCCC1)c1cc2c(cc1)OCO2)[H])S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-001l-6190000000-e794eafac258f2230755
Source of Spectrum CJC-22-1180-3b
Synonyms N-((1S,2S)-2-(benzo[d][1,3]dioxol-5-yl)-2-(hydroxymethyl)cyclohexyl)-4-methylbenzenesulfonamide
Wiley ID 1773858