N-[4-({[(2R,4S,5R)-5-{6-[4-(Dimethylamino)phenyl]-2-methyl-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}sulfamoyl)phenyl]acetamide

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Systematic / IUPAC Name: N-[4-[[(2R,4S,5R)-5-[6-[4-(Dimethylamino)phenyl]-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methylsulfamoyl]phenyl]acetamide

ID: Reference9930

Other Names: Acetamide, N-[4-[[[[(2R,4S,5R)-5-[6-[4-(dimethylamino)phenyl]-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]amino]sulfonyl]phenyl]-;
NAT13-343191

Formula: C29H36N6O3S

Spectral Data

N-[4-({[(2R,4S,5R)-5-{6-[4-(Dimethylamino)phenyl]-2-methyl-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}sulfamoyl)phenyl]acetamide 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
No. of Spectral Trees 1
No. of Spectra 1196
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/10/2020 8:39:49 AM
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Identificators

InChI InChI=1S/C29H36N6O3S/c1-19-31-28(21-5-9-24(10-6-21)34(3)4)16-29(32-19)27-18-35-14-13-22(27)15-25(35)17-30-39(37,38)26-11-7-23(8-12-26)33-20(2)36/h5-12,16,22,25,27,30H,13-15,17-18H2,1-4H3,(H,33,36)/t22-,25+,27-/m0/s1
InChI Key FAHVWWDYIMQRJE-RWUBSVTLSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNS(=O)(=O)C4=CC=C(C=C4)NC(=O)C)C5=CC=C(C=C5)N(C)C
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Other Names Acetamide, N-[4-[[[[(2R,4S,5R)-5-[6-[4-(dimethylamino)phenyl]-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]amino]sulfonyl]phenyl]-;
NAT13-343191

In Other Databases

PubChem 40776839
ChemSpider 21382018