2-Cyano-N-[[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzenesulfonamide

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Systematic / IUPAC Name: 2-Cyano-N-({(2R,4S,5R)-5-[6-(3-pentanyl)-2-(4-pyridinyl)-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)benzenesulfonamide

ID: Reference13340

Other Names: Benzenesulfonamide, 2-cyano-N-[[(2R,4S,5R)-5-[6-(1-ethylpropyl)-2-(4-pyridinyl)-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-341670

Formula: C29H34N6O2S

Spectral Data

2-Cyano-N-[[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzenesulfonamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 3162
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/7/2025 12:22:36 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C29H34N6O2S/c1-3-20(4-2)26-16-27(34-29(33-26)21-9-12-31-13-10-21)25-19-35-14-11-22(25)15-24(35)18-32-38(36,37)28-8-6-5-7-23(28)17-30/h5-10,12-13,16,20,22,24-25,32H,3-4,11,14-15,18-19H2,1-2H3/t22-,24+,25-/m0/s1
InChI Key UIGQKQQAIUREHL-CAOCKLPOSA-N
Canonical SMILES CCC(CC)C1=NC(=NC(=C1)C2CN3CCC2CC3CNS(=O)(=O)C4=CC=CC=C4C#N)C5=CC=NC=C5
CAS
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Other Names Benzenesulfonamide, 2-cyano-N-[[(2R,4S,5R)-5-[6-(1-ethylpropyl)-2-(4-pyridinyl)-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-341670

In Other Databases

ChemSpider 21381890
PubChem 40777310