CHEBI:125030 - 3-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

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ChEBI Name 3-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
ChEBI ID CHEBI:125030
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/c1-17-5-2-3-8-24(17)31(29,30)28-15-22-25(23(16-28)27-22)20-11-9-19(10-12-20)21-7-4-6-18(13-21)14-26/h2-13,22-23,25,27H,15-16H2,1H3/t22-,23+,25?
InChIKey BJJUXPOPPBAHSF-HCGNOCCLSA-N
SMILES CC1=CC=CC=C1S(=O)(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N
ChEBI Ontology
Outgoing 3-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125030) is a biphenyls (CHEBI:22888)
3-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125030) is a nitrile (CHEBI:18379)
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