N4-{2-[(4-Methylphenyl)sulfonyl]ethyl}-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide

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Systematic / IUPAC Name: 3-(2,6-Dichlorophenyl)-5-methyl-N-{2-[(4-methylphenyl)sulfonyl]ethyl}-1,2-oxazole-4-carboxamide

ID: Reference5019

Other Names: 4-Isoxazolecarboxamide, 3-(2,6-dichlorophenyl)-5-methyl-N-{2-[(4-methylphenyl)sulfonyl]ethyl}-

Formula: C20H18Cl2N2O4S

Spectral Data

N4-{2-[(4-Methylphenyl)sulfonyl]ethyl}-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide 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 6/20/2016 2:24:53 PM
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Identificators

InChI InChI=1S/C20H18Cl2N2O4S/c1-12-6-8-14(9-7-12)29(26,27)11-10-23-20(25)17-13(2)28-24-19(17)18-15(21)4-3-5-16(18)22/h3-9H,10-11H2,1-2H3,(H,23,25)
InChI Key KYPGSMSWUYSZSP-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)CCNC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C
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Other Names 4-Isoxazolecarboxamide, 3-(2,6-dichlorophenyl)-5-methyl-N-{2-[(4-methylphenyl)sulfonyl]ethyl}-

In Other Databases

ChemSpider 2076698
PubChem 2797900