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(1S,2R,4S,1'R,2'R)-N-[trans-2'-[7,7-Dimethyl-2-hydrxybicyclo[2.2.1]hept-1-ylmethylsulfonamino]cyclohexyl]-4'-methylbenzenesulfonamide

View entire compound with spectra: 1 MS (GC)

(1S,2R,4S,1'R,2'R)-N-[trans-2'-[7,7-Dimethyl-2-hydrxybicyclo[2.2.1]hept-1-ylmethylsulfonamino]cyclohexyl]-4'-methylbenzenesulfonamide
SpectraBase Compound ID 2yf0Q55lOHE
InChI InChI=1S/C23H36N2O5S2/c1-16-8-10-18(11-9-16)32(29,30)25-20-7-5-4-6-19(20)24-31(27,28)15-23-13-12-17(14-21(23)26)22(23,2)3/h8-11,17,19-21,24-26H,4-7,12-15H2,1-3H3/t17-,19+,20+,21-,23-/m0/s1
InChIKey SSMMOAYKVBIWFE-JUZDVGHISA-N
Mol Weight 484.7 g/mol
Molecular Formula C23H36N2O5S2
Exact Mass 484.206565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoAEcaVl0jr
Name (1S,2R,4S,1'R,2'R)-N-[trans-2'-[7,7-Dimethyl-2-hydrxybicyclo[2.2.1]hept-1-ylmethylsulfonamino]cyclohexyl]-4'-methylbenzenesulfonamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36N2O5S2
InChI InChI=1S/C23H36N2O5S2/c1-16-8-10-18(11-9-16)32(29,30)25-20-7-5-4-6-19(20)24-31(27,28)15-23-13-12-17(14-21(23)26)22(23,2)3/h8-11,17,19-21,24-26H,4-7,12-15H2,1-3H3/t17-,19+,20+,21-,23-/m0/s1
InChIKey SSMMOAYKVBIWFE-JUZDVGHISA-N
Molecular Weight 484.670 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@]1([C@](NS(C[C@]23[C@](C[C@@](C3(C)C)(CC2)[H])(O)[H])(=O)=O)(CCCC1)[H])[H]
SPLASH splash10-0002-9000000000-60077bfddbd9a36e7034
Source of Spectrum QE-12-4441-10
Wiley ID 1587038