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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-(2-methylphenyl)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-(2-methylphenyl)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-(2-methylphenyl)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-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

Preferred term

(1s,5r)-6-(benzenesulfonyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane  

Type

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

Broader concept

charge

  • 0

formula

  • C24H24N2O2S

inchi

  • InChI=1S/C24H24N2O2S/c1-17-7-5-6-10-21(17)18-11-13-19(14-12-18)24-22-15-25-16-23(24)26(22)29(27,28)20-8-3-2-4-9-20/h2-14,22-25H,15-16H2,1H3/t22-,23+,24?

inchikey

  • TXUWUZPRXHXNFD-VSGJHWFKSA-N

mass

  • 404.527

monoisotopicmass

  • 404.15585

smiles

  • CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4S(=O)(=O)C5=CC=CC=C5

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130154

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