skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfonamide > 2-[(2s,4ar,12ar)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(3-methoxyphenyl)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-[(2s,4ar,12ar)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(3-methoxyphenyl)methyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 2-[(2s,4ar,12ar)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(3-methoxyphenyl)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-[(2s,4ar,12ar)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(3-methoxyphenyl)methyl]acetamide

Preferred term

2-[(2s,4ar,12ar)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(3-methoxyphenyl)methyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C30H32FN3O7S

inchi

  • InChI=1S/C30H32FN3O7S/c1-34-25-12-11-22(16-29(35)32-17-19-6-5-7-21(14-19)39-2)41-27(25)18-40-26-13-10-20(15-23(26)30(34)36)33-42(37,38)28-9-4-3-8-24(28)31/h3-10,13-15,22,25,27,33H,11-12,16-18H2,1-2H3,(H,32,35)/t22-,25+,27-/m0/s1

inchikey

  • MRUYUJCJGOFQDV-RWUBSVTLSA-N

mass

  • 597.657

monoisotopicmass

  • 597.19450

smiles

  • CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC(=CC=C5)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98090

Download this concept:

RDF/XML TURTLE JSON-LD