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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfonamide > 2-[(3s,6as,8r,10as)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3,4-dichlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 2-[(3s,6as,8r,10as)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3,4-dichlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 2-[(3s,6as,8r,10as)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3,4-dichlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 2-[(3s,6as,8r,10as)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3,4-dichlorophenyl)methyl]acetamide

Preferred term

2-[(3s,6as,8r,10as)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3,4-dichlorophenyl)methyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C24H27Cl3N2O6S

inchi

  • InChI=1S/C24H27Cl3N2O6S/c25-16-2-5-19(6-3-16)36(32,33)29-12-17(30)13-34-14-23-22(29)8-4-18(35-23)10-24(31)28-11-15-1-7-20(26)21(27)9-15/h1-3,5-7,9,17-18,22-23,30H,4,8,10-14H2,(H,28,31)/t17-,18+,22-,23+/m0/s1

inchikey

  • PDXXVQHGAUJVJX-OVNVTHAWSA-N

mass

  • 577.907

monoisotopicmass

  • 576.06554

smiles

  • C1C[C@H]2[C@@H](COC[C@H](CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O)O[C@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129395

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