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CHEBI:126192 - 3-[4-[(8R,9R,10R)-6-(benzenesulfonyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile

ChEBI IDCHEBI:126192
ChEBI Name3-[4-[(8R,9R,10R)-6-(benzenesulfonyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile
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DownloadsMolfile
FormulaC28H29N3O3S
Net Charge0
Average Mass487.625
Monoisotopic Mass487.19296
SMILESN#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5)C[C@@H]34)cc2)c1
InChIInChI=1S/C28H29N3O3S/c29-18-21-7-6-8-24(17-21)22-11-13-23(14-12-22)28-26-19-30(15-4-5-16-31(26)27(28)20-32)35(33,34)25-9-2-1-3-10-25/h1-3,6-14,17,26-28,32H,4-5,15-16,19-20H2/t26-,27-,28+/m0/s1
InChIKeyZESGFLNBDDUAFQ-HZFUHODCSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(8R,9R,10R)-6-(benzenesulfonyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:126192) is a biphenyls (CHEBI:22888)
3-[4-[(8R,9R,10R)-6-(benzenesulfonyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:126192) is a nitrile (CHEBI:18379)
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