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Concept information

Preferred term

n-[(2r,3r,6r)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H27N5O4S

inchi

  • InChI=1S/C22H27N5O4S/c1-16-4-7-19(8-5-16)32(29,30)25-20-9-6-18(31-22(20)15-28)10-12-27-14-21(24-26-27)17-3-2-11-23-13-17/h2-5,7-8,11,13-14,18,20,22,25,28H,6,9-10,12,15H2,1H3/t18-,20-,22+/m1/s1

inchikey

  • AGCDJJGGWAFKHW-UZKOGDIHSA-N

mass

  • 457.548

monoisotopicmass

  • 457.17838

smiles

  • CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCN3C=C(N=N3)C4=CN=CC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99331

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