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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-[[(4r,5s)-8-bromo-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-n-methylbenzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[[(4r,5s)-8-bromo-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-n-methylbenzenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[[(4r,5s)-8-bromo-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-n-methylbenzenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > n-[[(4r,5s)-8-bromo-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-n-methylbenzenesulfonamide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C22H29BrN2O7S2

inchi

  • InChI=1S/C22H29BrN2O7S2/c1-15-12-25(16(2)14-26)34(29,30)22-10-9-17(23)11-19(22)32-20(15)13-24(3)33(27,28)21-8-6-5-7-18(21)31-4/h5-11,15-16,20,26H,12-14H2,1-4H3/t15-,16-,20-/m1/s1

inchikey

  • ZNUDODZEVYBNEW-JXXFODFXSA-N

mass

  • 577.511

monoisotopicmass

  • 576.05996

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@@H]1CN(C)S(=O)(=O)C3=CC=CC=C3OC)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96406

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