4-Cyano-N-[(1R,9R)-6-oxo-11-(phenylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
12893
Reference
4-Cyano-N-[(1R,9R)-6-oxo-11-(phenylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide Structure
Systematic / IUPAC Name: N-[(1R,9R)-11-(Benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-cyanobenzamide
ID: Reference12893
Other Names: NAT11-294910
Formula: C25H22N4O4S
Spectral Data
4-Cyano-N-[(1R,9R)-6-oxo-11-(phenylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide 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 | 923 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/23/2023 8:31:26 AM |
Identificators
| InChI | InChI=1S/C25H22N4O4S/c26-13-17-6-8-19(9-7-17)24(30)27-22-10-11-23-20-12-18(15-29(23)25(22)31)14-28(16-20)34(32,33)21-4-2-1-3-5-21/h1-11,18,20H,12,14-16H2,(H,27,30)/t18-,20+/m0/s1 |
| InChI Key | OLOXJRGHFJHQLE-AZUAARDMSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=C(C=C4)C#N)S(=O)(=O)C5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-294910 |