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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > 1-[4-[4-[[1-(4-chlorophenyl)sulfonylcyclopropyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 1-[4-[4-[[1-(4-chlorophenyl)sulfonylcyclopropyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 1-[4-[4-[[1-(4-chlorophenyl)sulfonylcyclopropyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone

Preferred term

1-[4-[4-[[1-(4-chlorophenyl)sulfonylcyclopropyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone  

Type

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

Broader concept

charge

  • 0

formula

  • C22H23ClN2O4S

inchi

  • InChI=1S/C22H23ClN2O4S/c1-16(26)17-2-6-19(7-3-17)24-12-14-25(15-13-24)21(27)22(10-11-22)30(28,29)20-8-4-18(23)5-9-20/h2-9H,10-15H2,1H3

inchikey

  • MZUHVPWGQTUABI-UHFFFAOYSA-N

mass

  • 446.949

monoisotopicmass

  • 446.10671

smiles

  • CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112331

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