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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > (1s,5r)-6-(benzenesulfonyl)-7-[4-(4-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > (1s,5r)-6-(benzenesulfonyl)-7-[4-(4-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > (1s,5r)-6-(benzenesulfonyl)-7-[4-(4-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > (1s,5r)-6-(benzenesulfonyl)-7-[4-(4-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

Preferred term

(1s,5r)-6-(benzenesulfonyl)-7-[4-(4-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C23H21FN2O2S

inchi

  • InChI=1S/C23H21FN2O2S/c24-19-12-10-17(11-13-19)16-6-8-18(9-7-16)23-21-14-25-15-22(23)26(21)29(27,28)20-4-2-1-3-5-20/h1-13,21-23,25H,14-15H2/t21-,22+,23?

inchikey

  • XRNLWPODXOTNKN-AIZNXBIQSA-N

mass

  • 408.490

monoisotopicmass

  • 408.13078

smiles

  • C1[C@@H]2C([C@@H](N2S(=O)(=O)C3=CC=CC=C3)CN1)C4=CC=C(C=C4)C5=CC=C(C=C5)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126518

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