N-[[(4S,5R)-8-(4-fluorophenyl)-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-methylmethanesulfonamide (CHEBI:119596)

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CHEBI:119596 - N-[[(4S,5R)-8-(4-fluorophenyl)-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-methylmethanesulfonamide

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ChEBI ID	CHEBI:119596
ChEBI Name	N-[[(4S,5R)-8-(4-fluorophenyl)-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-methylmethanesulfonamide
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Formula	C22H29FN2O6S2
Net Charge	0
Average Mass	500.614
Monoisotopic Mass	500.14511
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(C)(=O)=O)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O
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-/m0/s1
InChIKey	COMCBBHOXAZBGZ-MRUHUIDDSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5R)-8-(4-fluorophenyl)-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-methylmethanesulfonamide (CHEBI:119596) is a organofluorine compound (CHEBI:37143)

Manual Xrefs	Databases
LSM-31042	LINCS