2-(Methylsulfanyl)-N-[(1R,9R)-6-oxo-11-(2-thienylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide
12847
Reference
2-(Methylsulfanyl)-N-[(1R,9R)-6-oxo-11-(2-thienylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide Structure
Systematic / IUPAC Name: 2-Methylsulfanyl-N-[(1R,9R)-6-oxo-11-thiophen-2-ylsulfonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide
ID: Reference12847
Other Names: NAT11-302930
Formula: C18H21N3O4S3
Spectral Data
2-(Methylsulfanyl)-N-[(1R,9R)-6-oxo-11-(2-thienylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide 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 | 1094 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/30/2023 10:22:56 AM |
Identificators
| InChI | InChI=1S/C18H21N3O4S3/c1-26-11-16(22)19-14-4-5-15-13-7-12(9-21(15)18(14)23)8-20(10-13)28(24,25)17-3-2-6-27-17/h2-6,12-13H,7-11H2,1H3,(H,19,22)/t12-,13+/m0/s1 |
| InChI Key | FVCCFDMHDCWVTC-QWHCGFSZSA-N |
| Canonical SMILES | CSCC(=O)NC1=CC=C2C3CC(CN(C3)S(=O)(=O)C4=CC=CS4)CN2C1=O |
| CAS | |
| Splash | |
| Other Names | NAT11-302930 |