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Chemistry, part 1

Content language

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Concept information

organic aromatic compound > aromatic amine > (2s)-2-[(4s,5r)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > (2s)-2-[(4s,5r)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > (2s)-2-[(4s,5r)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol

Preferred term

(2s)-2-[(4s,5r)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol  

Type

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

Broader concept

charge

  • 0

formula

  • C31H36N2O5S

inchi

  • InChI=1S/C31H36N2O5S/c1-23-19-33(24(2)22-34)39(35,36)31-17-15-25(14-16-27-12-8-9-13-28(27)37-4)18-29(31)38-30(23)21-32(3)20-26-10-6-5-7-11-26/h5-13,15,17-18,23-24,30,34H,19-22H2,1-4H3/t23-,24-,30-/m0/s1

inchikey

  • HMUARYDFQRHBAD-JYUFKMNQSA-N

mass

  • 548.695

monoisotopicmass

  • 548.23449

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3OC)O[C@H]1CN(C)CC4=CC=CC=C4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129755

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