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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 > n-[[(2r,3r)-8-(2-cyclohexylethynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-n-methylbenzenesulfonamide
... > 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 > n-[[(2r,3r)-8-(2-cyclohexylethynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-n-methylbenzenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[[(2r,3r)-8-(2-cyclohexylethynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-n-methylbenzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > n-[[(2r,3r)-8-(2-cyclohexylethynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-n-methylbenzenesulfonamide

Preferred term

n-[[(2r,3r)-8-(2-cyclohexylethynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-n-methylbenzenesulfonamide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H36FN3O5S

inchi

  • InChI=1S/C29H36FN3O5S/c1-20-17-33(21(2)19-34)29(35)26-14-23(13-12-22-8-5-4-6-9-22)16-31-28(26)38-27(20)18-32(3)39(36,37)25-11-7-10-24(30)15-25/h7,10-11,14-16,20-22,27,34H,4-6,8-9,17-19H2,1-3H3/t20-,21-,27+/m1/s1

inchikey

  • FWJMPRMSYCMNDB-GNMOFYLKSA-N

mass

  • 557.679

monoisotopicmass

  • 557.23597

smiles

  • C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CCCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96256

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