4-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:96104)

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CHEBI:96104 - 4-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

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ChEBI ID	CHEBI:96104
ChEBI Name	4-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
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Downloads	Molfile

Formula	C28H33FN2O7S2
Net Charge	0
Average Mass	592.711
Monoisotopic Mass	592.17132
SMILES	COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O
InChI	InChI=1S/C28H33FN2O7S2/c1-19-16-31(20(2)18-32)40(35,36)28-14-9-21(24-7-5-6-8-25(24)37-4)15-26(28)38-27(19)17-30(3)39(33,34)23-12-10-22(29)11-13-23/h5-15,19-20,27,32H,16-18H2,1-4H3/t19-,20+,27-/m0/s1
InChIKey	NAXOUWLFRBOFLI-VKIDHGPPSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:96104) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-7483	LINCS