N-{(1R,9R)-11-[(2-Cyanophenyl)sulfonyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl}-4-methoxybenzamide
12280
Reference
N-{(1R,9R)-11-[(2-Cyanophenyl)sulfonyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl}-4-methoxybenzamide Structure
Systematic / IUPAC Name: N-[(1R,9R)-11-(2-Cyanophenyl)sulfonyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-methoxybenzamide
ID: Reference12280
Other Names: NAT11-276181
Formula: C26H24N4O5S
Spectral Data
N-{(1R,9R)-11-[(2-Cyanophenyl)sulfonyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl}-4-methoxybenzamide 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 | 960 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/20/2023 12:10:34 PM |
Identificators
| InChI | InChI=1S/C26H24N4O5S/c1-35-21-8-6-18(7-9-21)25(31)28-22-10-11-23-20-12-17(15-30(23)26(22)32)14-29(16-20)36(33,34)24-5-3-2-4-19(24)13-27/h2-11,17,20H,12,14-16H2,1H3,(H,28,31)/t17-,20+/m0/s1 |
| InChI Key | HPAOHAMBJHONKY-FXAWDEMLSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C(=O)NC2=CC=C3C4CC(CN(C4)S(=O)(=O)C5=CC=CC=C5C#N)CN3C2=O |
| CAS | |
| Splash | |
| Other Names | NAT11-276181 |