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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C28H30N4O5S

inchi

  • InChI=1S/C28H30N4O5S/c1-19-16-32(20(2)18-33)38(35,36)27-8-7-24(23-6-4-5-21(13-23)15-29)14-25(27)37-26(19)17-31(3)28(34)22-9-11-30-12-10-22/h4-14,19-20,26,33H,16-18H2,1-3H3/t19-,20-,26+/m0/s1

inchikey

  • VWUCQBGGJOIZNN-CUVVAGTFSA-N

mass

  • 534.629

monoisotopicmass

  • 534.19369

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC(=C3)C#N)O[C@@H]1CN(C)C(=O)C4=CC=NC=C4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114019

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