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CHEBI:47086 - 4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1H-pyrazol-5-yl)benzene-1,3-diol

Default Structure
ChEBI IDCHEBI:47086
ChEBI Name4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1H-pyrazol-5-yl)benzene-1,3-diol
Stars
DownloadsMolfile
FormulaC21H23ClN4O4S
Net Charge0
Average Mass462.959
Monoisotopic Mass462.11285
SMILES[H]Oc1c([H])c(O[H])c(-c2c(N3C([H])([H])C([H])([H])N(C([H])([H])c4c([H])c([H])c(S(=O)(=O)C([H])([H])[H])c([H])c4[H])C([H])([H])C3([H])[H])c([H])nn2[H])c([H])c1Cl
InChIInChI=1S/C21H23ClN4O4S/c1-31(29,30)15-4-2-14(3-5-15)13-25-6-8-26(9-7-25)18-12-23-24-21(18)16-10-17(22)20(28)11-19(16)27/h2-5,10-12,27-28H,6-9,13H2,1H3,(H,23,24)
InChIKeyBDFJIEMVNDLSTB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1H-pyrazol-5-yl)benzene-1,3-diol (CHEBI:47086) is a unclassifieds (CHEBI:27189)
Synonym  Source
4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1H-pyrazol-5-yl)benzene-1,3-diolPDBeChem
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