N-{[(2R,4S,5R)-5-(3-Cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-1-propanesulfonamide

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Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-(5-Cyclopentyl-2-methylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]propane-1-sulfonamide

ID: Reference9075

Other Names: 1-Propanesulfonamide, N-[[(2R,4S,5R)-5-(3-cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-334368

Formula: C20H34N4O2S

Spectral Data

N-{[(2R,4S,5R)-5-(3-Cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-1-propanesulfonamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 1048
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2019 12:31:55 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H34N4O2S/c1-3-10-27(25,26)21-13-17-11-16-8-9-24(17)14-18(16)20-12-19(22-23(20)2)15-6-4-5-7-15/h12,15-18,21H,3-11,13-14H2,1-2H3/t16-,17+,18-/m0/s1
InChI Key WEJCDYDFLIFNOL-KSZLIROESA-N
Canonical SMILES CCCS(=O)(=O)NCC1CC2CCN1CC2C3=CC(=NN3C)C4CCCC4
CAS
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Other Names 1-Propanesulfonamide, N-[[(2R,4S,5R)-5-(3-cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-334368

In Other Databases

ChemSpider 21381046
PubChem 40779427