N-[[(4S,5S)-8-bromo-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,4-dimethylbenzenesulfonamide (CHEBI:114168)

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CHEBI:114168 - N-[[(4S,5S)-8-bromo-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,4-dimethylbenzenesulfonamide

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ChEBI ID	CHEBI:114168
ChEBI Name	N-[[(4S,5S)-8-bromo-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,4-dimethylbenzenesulfonamide
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Formula	C22H29BrN2O6S2
Net Charge	0
Average Mass	561.520
Monoisotopic Mass	560.06504
SMILES	Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChI	InChI=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+/m0/s1
InChIKey	MKFDRGBJPDLEFY-XGHQBKJUSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5S)-8-bromo-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,4-dimethylbenzenesulfonamide (CHEBI:114168) is a sulfonamide (CHEBI:35358)

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