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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C24H35FN2O6S

inchi

  • InChI=1S/C24H35FN2O6S/c25-18-6-9-21(10-7-18)34(30,31)27-14-19(28)15-32-16-23-22(27)11-8-20(33-23)12-24(29)26-13-17-4-2-1-3-5-17/h6-7,9-10,17,19-20,22-23,28H,1-5,8,11-16H2,(H,26,29)/t19-,20+,22-,23+/m0/s1

inchikey

  • CDWYTZLAFHIRLQ-PABCKOPISA-N

mass

  • 498.610

monoisotopicmass

  • 498.21999

smiles

  • C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC=C(C=C4)F)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97548

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