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CHEBI:125091 - 4-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125091
ChEBI Name4-[4-[(1R,5S)-3-(2-methylphenyl)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
SMILESCc1ccccc1S(=O)(=O)N1C[C@@H]2N[C@H](C1)C2c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H23N3O2S/c1-17-4-2-3-5-24(17)31(29,30)28-15-22-25(23(16-28)27-22)21-12-10-20(11-13-21)19-8-6-18(14-26)7-9-19/h2-13,22-23,25,27H,15-16H2,1H3/t22-,23+,25?
InChIKeyUWQXFKLBIAIWNL-HCGNOCCLSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125091) is a biphenyls (CHEBI:22888)
4-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125091) is a nitrile (CHEBI:18379)
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