UK-416244
2765
Reference
UK-416244 Structure
Systematic / IUPAC Name: 3-[(Dimethylamino)methyl]-4-[3-methyl-4-(methylsulfanyl)phenoxy]benzenesulfonamide
ID: Reference2765
Other Names: Benzenesulfonamide, 3-[(dimethylamino)methyl]-4-[3-methyl-4-(methylthio)phenoxy]-
Formula: C17H22N2O3S2
Spectral Data
UK-416244 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 | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 235 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 6/3/2015 2:26:38 PM |
Identificators
| InChI | InChI=1S/C17H22N2O3S2/c1-12-9-14(5-8-17(12)23-4)22-16-7-6-15(24(18,20)21)10-13(16)11-19(2)3/h5-10H,11H2,1-4H3,(H2,18,20,21) |
| InChI Key | QIWQQMZFTOCFGF-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN(C)C)SC |
| CAS | 402910274 |
| Splash | |
| Other Names | Benzenesulfonamide, 3-[(dimethylamino)methyl]-4-[3-methyl-4-(methylthio)phenoxy]- |