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

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ChEBI Name 3-[4-[(8R,9R,10R)-6-(benzenesulfonyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile
ChEBI ID CHEBI:126192
Stars This entity has been manually annotated by a third party.
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Formula C28H29N3O3S
Net Charge 0
Average Mass 487.615
Monoisotopic Mass 487.19296
InChI InChI=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
InChIKey ZESGFLNBDDUAFQ-HZFUHODCSA-N
SMILES C1CCN2[C@@H](CN(C1)S(=O)(=O)C3=CC=CC=C3)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N
ChEBI Ontology
Outgoing 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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