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N,N-Dibenzyl-4-[1-cyclohexyl-2-ethylthioimidazol-5-yl]benzenesulfonamide
SpectraBase Compound ID 6rwhS0ZzLgk
InChI InChI=1S/C31H35N3O2S2/c1-2-37-31-32-22-30(34(31)28-16-10-5-11-17-28)27-18-20-29(21-19-27)38(35,36)33(23-25-12-6-3-7-13-25)24-26-14-8-4-9-15-26/h3-4,6-9,12-15,18-22,28H,2,5,10-11,16-17,23-24H2,1H3
InChIKey WBGHKIVQNNUUMH-UHFFFAOYSA-N
Mol Weight 545.8 g/mol
Molecular Formula C31H35N3O2S2
Exact Mass 545.21707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxdivAq5ZGc
Name N,N-Dibenzyl-4-[1-cyclohexyl-2-ethylthioimidazol-5-yl]benzenesulfonamide
Alternate Name(s) N,N-dibenzyl-4-(1-cyclohexyl-2-(ethylthio)-1H-imidazol-5-yl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H35N3O2S2
InChI InChI=1S/C31H35N3O2S2/c1-2-37-31-32-22-30(34(31)28-16-10-5-11-17-28)27-18-20-29(21-19-27)38(35,36)33(23-25-12-6-3-7-13-25)24-26-14-8-4-9-15-26/h3-4,6-9,12-15,18-22,28H,2,5,10-11,16-17,23-24H2,1H3
InChIKey WBGHKIVQNNUUMH-UHFFFAOYSA-N
Molecular Weight 545.760 g/mol
SMILES C(N(S(c1ccc(-c2[n](c(SCC)nc2)C2CCCCC2)cc1)(=O)=O)Cc1ccccc1)c1ccccc1
SPLASH splash10-0005-9440150000-289a78f668235f3b517d
Source of Spectrum Y-51-77-7n
Wiley ID 1741167