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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (2s,3s,4r)-1-benzylsulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (2s,3s,4r)-1-benzylsulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (2s,3s,4r)-1-benzylsulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (2s,3s,4r)-1-benzylsulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile

Preferred term

(2s,3s,4r)-1-benzylsulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C18H18N2O3S

inchi

  • InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17+,18+/m1/s1

inchikey

  • SEDZELNMUHOWSZ-SQNIBIBYSA-N

mass

  • 342.414

monoisotopicmass

  • 342.10381

smiles

  • C1=CC=C(C=C1)CS(=O)(=O)N2[C@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97877

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