3-[4-(4-Chlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-(phenylsulfonyl)acrylonitrile

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Systematic / IUPAC Name: (2E)-3-[4-(4-Chlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-(phenylsulfonyl)acrylonitrile

ID: Reference5602

Other Names: (E)-2-(Benzenesulfonyl)-3-[4-(4-chlorobenzoyl)-1-methylpyrrol-2-yl]prop-2-enenitrile;
2-Propenenitrile, 3-[4-(4-chlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-(phenylsulfonyl)-, (2E)-

Formula: C21H15ClN2O3S

Spectral Data

3-[4-(4-Chlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-(phenylsulfonyl)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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/13/2016 9:51:12 AM
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Identificators

InChI InChI=1S/C21H15ClN2O3S/c1-24-14-16(21(25)15-7-9-17(22)10-8-15)11-18(24)12-20(13-23)28(26,27)19-5-3-2-4-6-19/h2-12,14H,1H3/b20-12+
InChI Key LZPMBDXKAXUHPT-UDWIEESQSA-N
Canonical SMILES CN1C=C(C=C1C=C(C#N)S(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
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Other Names (E)-2-(Benzenesulfonyl)-3-[4-(4-chlorobenzoyl)-1-methylpyrrol-2-yl]prop-2-enenitrile;
2-Propenenitrile, 3-[4-(4-chlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-(phenylsulfonyl)-, (2E)-

In Other Databases

PubChem 5715938
ChemSpider 4652969