3-(4-Benzylpiperazino)-2-[(4-chlorophenyl)sulfonyl]acrylonitrile

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Systematic / IUPAC Name: (2E)-3-(4-Benzyl-1-piperazinyl)-2-[(4-chlorophenyl)sulfonyl]acrylonitrile

ID: Reference4785

Other Names: 2-Propenenitrile, 2-[(4-chlorophenyl)sulfonyl]-3-[4-(phenylmethyl)-1-piperazinyl]-, (2E)-

Formula: C20H20ClN3O2S

Spectral Data

3-(4-Benzylpiperazino)-2-[(4-chlorophenyl)sulfonyl]acrylonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/11/2016 10:27:50 AM
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Identificators

InChI InChI=1S/C20H20ClN3O2S/c21-18-6-8-19(9-7-18)27(25,26)20(14-22)16-24-12-10-23(11-13-24)15-17-4-2-1-3-5-17/h1-9,16H,10-13,15H2/b20-16+
InChI Key HMEYWRNHAXQOGA-CAPFRKAQSA-N
Canonical SMILES C1CN(CCN1CC2=CC=CC=C2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl
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Other Names 2-Propenenitrile, 2-[(4-chlorophenyl)sulfonyl]-3-[4-(phenylmethyl)-1-piperazinyl]-, (2E)-

In Other Databases

ChemSpider 2100897
PubChem 2822684