N-{[(2R,4S,5S)-5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-4-methylbenzenesulfonamide

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Systematic / IUPAC Name: N-[[(2R,4S,5S)-5-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-4-methylbenzenesulfonamide

ID: Reference10962

Other Names: Benzenesulfonamide, N-[[(2R,4S,5S)-5-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-methyl-;
NAT13-339469

Formula: C25H33N3O2S

Spectral Data

N-{[(2R,4S,5S)-5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-4-methylbenzenesulfonamide 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 1100
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/22/2021 6:20:07 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H33N3O2S/c1-19-6-8-25(9-7-19)31(29,30)26-15-24-14-21-11-13-28(24)18-23(21)17-27-12-10-20-4-2-3-5-22(20)16-27/h2-9,21,23-24,26H,10-18H2,1H3/t21-,23-,24+/m0/s1
InChI Key AGQMLUMCJDMVNW-OEMFJLHTSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NCC2CC3CCN2CC3CN4CCC5=CC=CC=C5C4
CAS
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Other Names Benzenesulfonamide, N-[[(2R,4S,5S)-5-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-methyl-;
NAT13-339469

In Other Databases

ChemSpider 21381400
PubChem 25389266