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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyridines > pyridinecarboxamide > n-[[(4s,5s)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-pyridinecarboxamide
organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > pyridinecarboxamide > n-[[(4s,5s)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-pyridinecarboxamide
organic heterocyclic compound > organic heteromonocyclic compound > pyridines > pyridinecarboxamide > n-[[(4s,5s)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-pyridinecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > pyridinecarboxamide > n-[[(4s,5s)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-pyridinecarboxamide
organooxygen compound > carboxamide > pyridinecarboxamide > n-[[(4s,5s)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-pyridinecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > pyridinecarboxamide > n-[[(4s,5s)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-pyridinecarboxamide

Preferred term

n-[[(4s,5s)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-pyridinecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C28H33N3O5S

inchi

  • InChI=1S/C28H33N3O5S/c1-19-9-5-6-10-23(19)22-12-13-27-25(15-22)36-26(17-30(4)28(33)24-11-7-8-14-29-24)20(2)16-31(21(3)18-32)37(27,34)35/h5-15,20-21,26,32H,16-18H2,1-4H3/t20-,21-,26+/m0/s1

inchikey

  • UWPUNYQEQGJQBN-ISJBWFOZSA-N

mass

  • 523.646

monoisotopicmass

  • 523.21409

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3C)O[C@@H]1CN(C)C(=O)C4=CC=CC=N4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119567

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