2-{[(1R,9R)-6-Oxo-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl}benzonitrile
12935
Reference
2-{[(1R,9R)-6-Oxo-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl}benzonitrile Structure
Systematic / IUPAC Name: 2-[[(1R,9R)-6-Oxo-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl]benzonitrile
ID: Reference12935
Other Names: NAT11-291152
Formula: C24H21N3O3S
Spectral Data
2-{[(1R,9R)-6-Oxo-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl}benzonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1264 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/14/2023 12:45:40 PM |
Identificators
| InChI | InChI=1S/C24H21N3O3S/c25-13-19-8-4-5-9-22(19)31(29,30)26-14-17-12-20(16-26)24-21(18-6-2-1-3-7-18)10-11-23(28)27(24)15-17/h1-11,17,20H,12,14-16H2/t17-,20+/m0/s1 |
| InChI Key | OEYNDOCXAJWGST-FXAWDEMLSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N |
| CAS | |
| Splash | |
| Other Names | NAT11-291152 |