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CHEBI:120515 - [5-[(2-methylphenyl)sulfonylmethyl]-2-furanyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone

ChEBI IDCHEBI:120515
ChEBI Name[5-[(2-methylphenyl)sulfonylmethyl]-2-furanyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone
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DownloadsMolfile
FormulaC21H22N4O4S
Net Charge0
Average Mass426.498
Monoisotopic Mass426.13618
SMILESCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C21H22N4O4S/c1-16-5-2-3-6-19(16)30(27,28)15-17-7-8-18(29-17)20(26)24-11-13-25(14-12-24)21-22-9-4-10-23-21/h2-10H,11-15H2,1H3
InChIKeyGWQLLHKETFNQCK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[5-[(2-methylphenyl)sulfonylmethyl]-2-furanyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone (CHEBI:120515) is a N-arylpiperazine (CHEBI:46848)
Manual XrefsDatabases
LSM-31958LINCS