(1R,9R)-3-(4-Chlorophenyl)-11-[(4-methoxyphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
12886
Reference
(1R,9R)-3-(4-Chlorophenyl)-11-[(4-methoxyphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9R)-3-(4-Chlorophenyl)-11-(4-methoxyphenyl)sulfonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference12886
Other Names: NAT11-287711
Formula: C24H23ClN2O4S
Spectral Data
(1R,9R)-3-(4-Chlorophenyl)-11-[(4-methoxyphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 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 | 2809 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/22/2023 8:49:30 AM |
Identificators
| InChI | InChI=1S/C24H23ClN2O4S/c1-31-20-6-8-21(9-7-20)32(29,30)26-13-16-12-18(15-26)24-22(10-11-23(28)27(24)14-16)17-2-4-19(25)5-3-17/h2-11,16,18H,12-15H2,1H3/t16-,18+/m0/s1 |
| InChI Key | VIJYNAGWRLOTGN-FUHWJXTLSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(C2)C4=C(C=CC(=O)N4C3)C5=CC=C(C=C5)Cl |
| CAS | |
| Splash | |
| Other Names | NAT11-287711 |