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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > benzodioxoles > 3-[(4r,5s)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-n,n-dimethylbenzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > 3-[(4r,5s)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-n,n-dimethylbenzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > 3-[(4r,5s)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-n,n-dimethylbenzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > 3-[(4r,5s)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-n,n-dimethylbenzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > 3-[(4r,5s)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-n,n-dimethylbenzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > 3-[(4r,5s)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-n,n-dimethylbenzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > 3-[(4r,5s)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-n,n-dimethylbenzamide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C32H39N3O7S

inchi

  • InChI=1S/C32H39N3O7S/c1-21-16-35(22(2)19-36)43(38,39)31-12-10-25(24-7-6-8-26(14-24)32(37)33(3)4)15-29(31)42-30(21)18-34(5)17-23-9-11-27-28(13-23)41-20-40-27/h6-15,21-22,30,36H,16-20H2,1-5H3/t21-,22+,30-/m1/s1

inchikey

  • MYWSUSXCAZFZDP-VDZJOXJSSA-N

mass

  • 609.735

monoisotopicmass

  • 609.25087

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC(=CC=C3)C(=O)N(C)C)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114143

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