(1R,9R)-3-[(E)-2-(4-Chlorophenyl)vinyl]-11-(propylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9R)-3-[(E)-2-(4-Chlorophenyl)ethenyl]-11-propylsulfonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference8845

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 11-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,3,4,5,6-hexahydro-3-(propylsulfonyl)-, (1R,5R)-;
NAT11-289146

Formula: C22H25ClN2O3S

Spectral Data

(1R,9R)-3-[(E)-2-(4-Chlorophenyl)vinyl]-11-(propylsulfonyl)-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 124
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/19/2019 6:03:18 AM
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Identificators

InChI InChI=1S/C22H25ClN2O3S/c1-2-11-29(27,28)24-13-17-12-19(15-24)22-18(7-10-21(26)25(22)14-17)6-3-16-4-8-20(23)9-5-16/h3-10,17,19H,2,11-15H2,1H3/b6-3+/t17-,19+/m0/s1
InChI Key QKXZZRDIZBOUST-LPRVLWEOSA-N
Canonical SMILES CCCS(=O)(=O)N1CC2CC(C1)C3=C(C=CC(=O)N3C2)C=CC4=CC=C(C=C4)Cl
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 11-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,3,4,5,6-hexahydro-3-(propylsulfonyl)-, (1R,5R)-;
NAT11-289146

In Other Databases

PubChem 7687250
ChemSpider 5999533