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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanides > nitrile > 4-[4-[(1r,5s)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

Preferred term

4-[4-[(1r,5s)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C25H23N3O2S

inchi

  • InChI=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?

inchikey

  • UWQXFKLBIAIWNL-HCGNOCCLSA-N

mass

  • 429.536

monoisotopicmass

  • 429.15110

smiles

  • CC1=CC=CC=C1S(=O)(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125091

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