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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''-methoxybenzenesulfonamide

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''-methoxybenzenesulfonamide
SpectraBase Compound ID JTxOjuhqI9c
InChI InChI=1S/C23H36N2O6S2/c1-22(2)16-12-13-23(22,21(26)14-16)15-32(27,28)24-19-6-4-5-7-20(19)25-33(29,30)18-10-8-17(31-3)9-11-18/h8-11,16,19-21,24-26H,4-7,12-15H2,1-3H3/t16-,19+,20+,21-,23-/m0/s1
InChIKey ACHSHZFTAXJCFX-RTRNUXGRSA-N
Mol Weight 500.7 g/mol
Molecular Formula C23H36N2O6S2
Exact Mass 500.201479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWAw35HqkHv
Name (1S,2R,4S,1'R,2'R)-N-[trans-2'-[7,7-Dimethyl-2-hydrxybicyclo[2.2.1]hept-1-ylmethylsulfonamino]cyclohexyl]-4''-methoxybenzenesulfonamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36N2O6S2
InChI InChI=1S/C23H36N2O6S2/c1-22(2)16-12-13-23(22,21(26)14-16)15-32(27,28)24-19-6-4-5-7-20(19)25-33(29,30)18-10-8-17(31-3)9-11-18/h8-11,16,19-21,24-26H,4-7,12-15H2,1-3H3/t16-,19+,20+,21-,23-/m0/s1
InChIKey ACHSHZFTAXJCFX-RTRNUXGRSA-N
Molecular Weight 500.669 g/mol
SMILES N(S(c1ccc(cc1)OC)(=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-fffad05f3f6b9da7ee47
Source of Spectrum QE-12-4441-10
Wiley ID 1587037