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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > fluorine molecular entity > organofluorine compound > n-[[(4r,5r)-8-(4-fluorophenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methylmethanesulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > n-[[(4r,5r)-8-(4-fluorophenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methylmethanesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > halide > organohalogen compound > organofluorine compound > n-[[(4r,5r)-8-(4-fluorophenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methylmethanesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organohalogen compound > organofluorine compound > n-[[(4r,5r)-8-(4-fluorophenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methylmethanesulfonamide

Preferred term

n-[[(4r,5r)-8-(4-fluorophenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methylmethanesulfonamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H29FN2O6S2

inchi

  • InChI=1S/C22H29FN2O6S2/c1-15-12-25(16(2)14-26)33(29,30)22-10-7-18(17-5-8-19(23)9-6-17)11-20(22)31-21(15)13-24(3)32(4,27)28/h5-11,15-16,21,26H,12-14H2,1-4H3/t15-,16+,21+/m1/s1

inchikey

  • COMCBBHOXAZBGZ-XFQAVAEZSA-N

mass

  • 500.607

monoisotopicmass

  • 500.14511

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)F)O[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119503

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