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Concept information

Preferred term

n-[2-[(2r,5r,6r)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H25ClN2O7S

inchi

  • InChI=1S/C22H25ClN2O7S/c23-15-2-5-17(6-3-15)33(28,29)25-18-7-4-16(32-21(18)12-26)9-10-24-22(27)14-1-8-19-20(11-14)31-13-30-19/h1-3,5-6,8,11,16,18,21,25-26H,4,7,9-10,12-13H2,(H,24,27)/t16-,18-,21+/m1/s1

inchikey

  • WVRHSCPXBJSNMQ-BLIXFSHQSA-N

mass

  • 496.963

monoisotopicmass

  • 496.10710

smiles

  • C1C[C@H]([C@@H](O[C@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98705

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