4-Methoxy-N-{[(2R,4S,5S)-5-{[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzenesulfonamide

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Systematic / IUPAC Name: 4-Methoxy-N-[[(2R,4S,5S)-5-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzenesulfonamide

ID: Reference11803

Other Names: NAT13-339572

Formula: C27H36N4O4S

Spectral Data

4-Methoxy-N-{[(2R,4S,5S)-5-{[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzenesulfonamide 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 1980
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/30/2022 8:08:29 AM
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Identificators

InChI InChI=1S/C27H36N4O4S/c1-35-24-5-7-25(8-6-24)36(33,34)28-13-23-12-20-9-10-30(23)18-22(20)17-29-14-19-11-21(16-29)26-3-2-4-27(32)31(26)15-19/h2-8,19-23,28H,9-18H2,1H3/t19-,20-,21+,22-,23+/m0/s1
InChI Key ZTDVFYLELOANIE-USWKJHDZSA-N
Canonical SMILES COC1=CC=C(C=C1)S(=O)(=O)NCC2CC3CCN2CC3CN4CC5CC(C4)C6=CC=CC(=O)N6C5
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Other Names NAT13-339572

In Other Databases

ChemSpider 21381498
PubChem 44716383