2-[(4-Chlorophenyl)sulfonyl]-3-piperidinoacrylonitrile
4505
Reference
2-[(4-Chlorophenyl)sulfonyl]-3-piperidinoacrylonitrile Structure
Systematic / IUPAC Name: (2E)-2-[(4-Chlorophenyl)sulfonyl]-3-(1-piperidinyl)acrylonitrile
ID: Reference4505
Other Names: 2-Propenenitrile, 2-[(4-chlorophenyl)sulfonyl]-3-(1-piperidinyl)-, (2E)-
Formula: C14H15ClN2O2S
Spectral Data
2-[(4-Chlorophenyl)sulfonyl]-3-piperidinoacrylonitrile 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 | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 4/11/2016 12:51:46 PM |
Identificators
| InChI | InChI=1S/C14H15ClN2O2S/c15-12-4-6-13(7-5-12)20(18,19)14(10-16)11-17-8-2-1-3-9-17/h4-7,11H,1-3,8-9H2/b14-11+ |
| InChI Key | VWPISDGKZOXAIT-SDNWHVSQSA-N |
| Canonical SMILES | C1CCN(CC1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl |
| CAS | |
| Splash | |
| Other Names | 2-Propenenitrile, 2-[(4-chlorophenyl)sulfonyl]-3-(1-piperidinyl)-, (2E)- |
In Other Databases
| ChemSpider | 2097186 |
| PubChem | 2818951 |
| ChEMBL | CHEMBL2141479 |