CHEBI:108019 - 2-(3-methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile

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ChEBI Name 2-(3-methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile
ChEBI ID CHEBI:108019
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H20N4O2S
Net Charge 0
Average Mass 392.476
Monoisotopic Mass 392.13070
InChI InChI=1S/C21H20N4O2S/c1-15-7-6-8-16(13-15)28(26,27)19(14-22)20-21(25-11-4-5-12-25)24-18-10-3-2-9-17(18)23-20/h2-3,6-10,13,19H,4-5,11-12H2,1H3
InChIKey GDJMDNKIUMOLIR-UHFFFAOYSA-N
SMILES CC1=CC(=CC=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCC4
ChEBI Ontology
Outgoing 2-(3-methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile (CHEBI:108019) is a quinoxaline derivative (CHEBI:38771)
Manual Xref Database
LSM-19396 LINCS
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