4-Cyano-N-[(1R,9R)-6-oxo-11-(2-thienylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
12258
Reference
4-Cyano-N-[(1R,9R)-6-oxo-11-(2-thienylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide Structure
Systematic / IUPAC Name: 4-Cyano-N-[(1R,9R)-6-oxo-11-thiophen-2-ylsulfonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
ID: Reference12258
Other Names: NAT11-294916
Formula: C23H20N4O4S2
Spectral Data
4-Cyano-N-[(1R,9R)-6-oxo-11-(2-thienylsulfonyl)-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 | 1125 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/14/2023 10:22:06 AM |
Identificators
| InChI | InChI=1S/C23H20N4O4S2/c24-11-15-3-5-17(6-4-15)22(28)25-19-7-8-20-18-10-16(13-27(20)23(19)29)12-26(14-18)33(30,31)21-2-1-9-32-21/h1-9,16,18H,10,12-14H2,(H,25,28)/t16-,18+/m0/s1 |
| InChI Key | YROGXXPQJGOTPJ-FUHWJXTLSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=C(C=C4)C#N)S(=O)(=O)C5=CC=CS5 |
| CAS | |
| Splash | |
| Other Names | NAT11-294916 |