(1R,9R)-3-(1-Benzothiophen-2-yl)-11-(methylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9R)-3-(1-Benzothiophen-2-yl)-11-methylsulfonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10943

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 11-benzo[b]thien-2-yl-1,2,3,4,5,6-hexahydro-3-(methylsulfonyl)-, (1R,5R)-;
NAT11-287890

Formula: C20H20N2O3S2

Spectral Data

(1R,9R)-3-(1-Benzothiophen-2-yl)-11-(methylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 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 3143
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/15/2021 10:22:41 AM
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Identificators

InChI InChI=1S/C20H20N2O3S2/c1-27(24,25)21-10-13-8-15(12-21)20-16(6-7-19(23)22(20)11-13)18-9-14-4-2-3-5-17(14)26-18/h2-7,9,13,15H,8,10-12H2,1H3/t13-,15+/m0/s1
InChI Key ZCUPZQQDMFEOQU-DZGCQCFKSA-N
Canonical SMILES CS(=O)(=O)N1CC2CC(C1)C3=C(C=CC(=O)N3C2)C4=CC5=CC=CC=C5S4
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 11-benzo[b]thien-2-yl-1,2,3,4,5,6-hexahydro-3-(methylsulfonyl)-, (1R,5R)-;
NAT11-287890

In Other Databases

PubChem 7144173
ChemSpider 5484912