MLS000078644 structure

MLS000078644

2-(4-methylphenyl)sulfonyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile

Also Known As: 2-(3-(4-methylpiperidin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile|2-(4-methylphenyl)sulfonyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile|2-[3-(4-methylpiperidino)quinoxalin-2-yl]-2-tosyl-acetonitrile|[(4-methylphenyl)sulfonyl][3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile|2-(4-methylphenyl)sulfonyl-2-[3-(4-methyl-1-piperidinyl)-2-quinoxalinyl]acetonitrile|2-(4-methylphenyl)sulfonyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]ethanenitrile

CAS: 797764-99-9
Molecular Formula C23H24N4O2S
Molecular Weight 420.162 g/mol
LogP 4.1
Topological Polar Surface Area 95.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 420.162
Monoisotopic Mass 420.162
Heavy Atoms 30
Complexity 726.0

Chemical Identifiers

CAS Number 797764-99-9
SMILES CC1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)C
InChIKey XVCAIZBMSLPKTC-UHFFFAOYSA-N

Product Overview

MLS000078644 (CAS 797764-99-9), with molecular formula C23H24N4O2S and molecular weight 420.162 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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