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

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ChEBI Name 4-[4-[(1S,5R)-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
ChEBI ID CHEBI:125088
Stars This entity has been manually annotated by a third party.
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Formula C25H23N3O2S
Net Charge 0
Average Mass 429.536
Monoisotopic Mass 429.15110
InChI InChI=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?
InChIKey KSFOFYANOVBZJR-XMGLRAKGSA-N
SMILES C1[C@@H]2C([C@@H](N2)CN1S(=O)(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N
ChEBI Ontology
Outgoing 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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