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Concept information

Preferred term

3-fluoro-n-[(2r,3s,6s)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H27FN2O5S

inchi

  • InChI=1S/C22H27FN2O5S/c1-15-5-8-19(9-6-15)31(28,29)24-12-11-18-7-10-20(21(14-26)30-18)25-22(27)16-3-2-4-17(23)13-16/h2-6,8-9,13,18,20-21,24,26H,7,10-12,14H2,1H3,(H,25,27)/t18-,20-,21-/m0/s1

inchikey

  • NLJLXKOEVYKMMF-JBACZVJFSA-N

mass

  • 450.526

monoisotopicmass

  • 450.16247

smiles

  • CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CC(=CC=C3)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:120107

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