4-Methoxy-N-[(1R,9R)-6-oxo-11-(2-thienylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
13086
Reference
4-Methoxy-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-Methoxy-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: Reference13086
Other Names: NAT11-276183
Formula: C23H23N3O5S2
Spectral Data
4-Methoxy-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 | 1020 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/5/2024 12:43:12 PM |
Identificators
| InChI | InChI=1S/C23H23N3O5S2/c1-31-18-6-4-16(5-7-18)22(27)24-19-8-9-20-17-11-15(13-26(20)23(19)28)12-25(14-17)33(29,30)21-3-2-10-32-21/h2-10,15,17H,11-14H2,1H3,(H,24,27)/t15-,17+/m0/s1 |
| InChI Key | OCCBJWACFOVUPF-DOTOQJQBSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C(=O)NC2=CC=C3C4CC(CN(C4)S(=O)(=O)C5=CC=CS5)CN3C2=O |
| CAS | |
| Splash | |
| Other Names | NAT11-276183 |