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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > n-[[(4s,5r)-8-(2-cyclopropylethynyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methylmethanesulfonamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > n-[[(4s,5r)-8-(2-cyclopropylethynyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methylmethanesulfonamide
... > 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 aromatic compound > aromatic ether > n-[[(4s,5r)-8-(2-cyclopropylethynyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methylmethanesulfonamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > n-[[(4s,5r)-8-(2-cyclopropylethynyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methylmethanesulfonamide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C21H30N2O6S2

inchi

  • InChI=1S/C21H30N2O6S2/c1-15-12-23(16(2)14-24)31(27,28)21-10-9-18(8-7-17-5-6-17)11-19(21)29-20(15)13-22(3)30(4,25)26/h9-11,15-17,20,24H,5-6,12-14H2,1-4H3/t15-,16+,20-/m0/s1

inchikey

  • MCOJFHYNZBKTQP-YRNRMSPPSA-N

mass

  • 470.606

monoisotopicmass

  • 470.15453

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CC3)O[C@H]1CN(C)S(=O)(=O)C)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119745

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