(1R,9R)-11-[(4-Methoxyphenyl)sulfonyl]-5-(2-thienyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9R)-11-(4-Methoxyphenyl)sulfonyl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10148

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[(4-methoxyphenyl)sulfonyl]-9-(2-thienyl)-, (1R,5R)-;
NAT11-284094

Formula: C22H22N2O4S2

Spectral Data

(1R,9R)-11-[(4-Methoxyphenyl)sulfonyl]-5-(2-thienyl)-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 2080
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/11/2020 11:23:28 AM
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Identificators

InChI InChI=1S/C22H22N2O4S2/c1-28-17-4-6-18(7-5-17)30(26,27)23-12-15-11-16(14-23)20-9-8-19(21-3-2-10-29-21)22(25)24(20)13-15/h2-10,15-16H,11-14H2,1H3/t15-,16+/m0/s1
InChI Key XQSAWRCDTNVWPE-JKSUJKDBSA-N
Canonical SMILES COC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC=CS5
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[(4-methoxyphenyl)sulfonyl]-9-(2-thienyl)-, (1R,5R)-;
NAT11-284094

In Other Databases

PubChem 7143796
ChemSpider 5484717