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CHEBI:96388 - 2-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

ChEBI IDCHEBI:96388
ChEBI Name2-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
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FormulaC26H30FN3O6S2
Net Charge0
Average Mass563.673
Monoisotopic Mass563.15601
SMILESC[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C26H30FN3O6S2/c1-18-15-30(19(2)17-31)38(34,35)26-9-8-21(20-10-12-28-13-11-20)14-23(26)36-24(18)16-29(3)37(32,33)25-7-5-4-6-22(25)27/h4-14,18-19,24,31H,15-17H2,1-3H3/t18-,19+,24-/m1/s1
InChIKeyQHDFXKNEEFSYRF-YDIMBITNSA-N
ChEBI Ontology
Outgoing Relation(s)
2-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:96388) is a phenylpyridine (CHEBI:38193)
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