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

Preferred term

2-[(3r,6ar,8r,10ar)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(4-pyrimidinylmethyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H27FN4O6S

inchi

  • InChI=1S/C22H27FN4O6S/c23-15-2-1-3-19(8-15)34(30,31)27-11-17(28)12-32-13-21-20(27)5-4-18(33-21)9-22(29)25-10-16-6-7-24-14-26-16/h1-3,6-8,14,17-18,20-21,28H,4-5,9-13H2,(H,25,29)/t17-,18-,20-,21+/m1/s1

inchikey

  • FPMJOPUHYZGMQU-UKAVVXHISA-N

mass

  • 494.538

monoisotopicmass

  • 494.16353

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102712

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