3-[(1R,9R)-6-Oxo-11-(phenylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile

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Systematic / IUPAC Name: 3-[(1R,9R)-11-(Benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile

ID: Reference10051

Other Names: Benzonitrile, 3-[(1R,5R)-1,3,4,5,6,8-hexahydro-8-oxo-3-(phenylsulfonyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-285582

Formula: C24H21N3O3S

Spectral Data

3-[(1R,9R)-6-Oxo-11-(phenylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile 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 1388
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/13/2020 11:07:51 AM
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Identificators

InChI InChI=1S/C24H21N3O3S/c25-13-17-5-4-6-19(11-17)22-9-10-23-20-12-18(15-27(23)24(22)28)14-26(16-20)31(29,30)21-7-2-1-3-8-21/h1-11,18,20H,12,14-16H2/t18-,20+/m0/s1
InChI Key RPQIHDLXGMNVJS-AZUAARDMSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=CC(=C4)C#N)S(=O)(=O)C5=CC=CC=C5
CAS
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Other Names Benzonitrile, 3-[(1R,5R)-1,3,4,5,6,8-hexahydro-8-oxo-3-(phenylsulfonyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-285582

In Other Databases

PubChem 7673830
ChemSpider 5987328