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CHEBI:114130 - 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]-N,4-dimethylbenzenesulfonamide

ChEBI IDCHEBI:114130
ChEBI NameN-[[(4R,5S)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
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FormulaC22H29BrN2O6S2
Net Charge0
Average Mass561.520
Monoisotopic Mass560.06504
SMILESCc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C22H29BrN2O6S2/c1-15-5-8-19(9-6-15)32(27,28)24(4)13-21-16(2)12-25(17(3)14-26)33(29,30)22-10-7-18(23)11-20(22)31-21/h5-11,16-17,21,26H,12-14H2,1-4H3/t16-,17-,21-/m1/s1
InChIKeyMKFDRGBJPDLEFY-CBGDNZLLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4R,5S)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:114130) is a sulfonamide (CHEBI:35358)
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