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CHEBI:125088 - 4-[4-[(1S,5R)-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125088
ChEBI Name4-[4-[(1S,5R)-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
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FormulaC25H23N3O2S
Net Charge0
Average Mass429.545
Monoisotopic Mass429.15110
SMILESN#Cc1ccc(-c2ccc(C3[C@@H]4CN(S(=O)(=O)Cc5ccccc5)C[C@H]3N4)cc2)cc1
InChIInChI=1S/C25H23N3O2S/c26-14-18-6-8-20(9-7-18)21-10-12-22(13-11-21)25-23-15-28(16-24(25)27-23)31(29,30)17-19-4-2-1-3-5-19/h1-13,23-25,27H,15-17H2/t23-,24+,25?
InChIKeyKSFOFYANOVBZJR-XMGLRAKGSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(1S,5R)-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125088) is a biphenyls (CHEBI:22888)
4-[4-[(1S,5R)-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125088) is a nitrile (CHEBI:18379)
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