N-[3-(1,3-Benzothiazol-2-yl)-4-methyl-2-thienyl]-4-chlorobenzenesulfonamide
6979
Reference
N-[3-(1,3-Benzothiazol-2-yl)-4-methyl-2-thienyl]-4-chlorobenzenesulfonamide Structure
Systematic / IUPAC Name: N-[3-(1,3-Benzothiazol-2-yl)-4-methyl-2-thienyl]-4-chlorobenzenesulfonamide
ID: Reference6979
Other Names: Benzenesulfonamide, N-[3-(2-benzothiazolyl)-4-methyl-2-thienyl]-4-chloro-
Formula: C18H13ClN2O2S3
Spectral Data
N-[3-(1,3-Benzothiazol-2-yl)-4-methyl-2-thienyl]-4-chlorobenzenesulfonamide 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 | 242 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/20/2017 9:24:23 AM |
Identificators
| InChI | InChI=1S/C18H13ClN2O2S3/c1-11-10-24-18(21-26(22,23)13-8-6-12(19)7-9-13)16(11)17-20-14-4-2-3-5-15(14)25-17/h2-10,21H,1H3 |
| InChI Key | UJPDPAGWXRMEKU-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=C(C=C4)Cl |
| CAS | |
| Splash | |
| Other Names | Benzenesulfonamide, N-[3-(2-benzothiazolyl)-4-methyl-2-thienyl]-4-chloro- |
In Other Databases
| PubChem | 2809632 |
| ChemSpider | 2088054 |
| ChEMBL | CHEMBL561366 |