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CHEBI:119669 - N-[[(4S,5S)-8-(4-fluorophenyl)-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-methylmethanesulfonamide

Default Structure
ChEBI IDCHEBI:119669
ChEBI NameN-[[(4S,5S)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
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DownloadsMolfile
FormulaC22H29FN2O6S2
Net Charge0
Average Mass500.614
Monoisotopic Mass500.14511
SMILESC[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C22H29FN2O6S2/c1-15-12-25(16(2)14-26)33(29,30)22-10-7-18(17-5-8-19(23)9-6-17)11-20(22)31-21(15)13-24(3)32(4,27)28/h5-11,15-16,21,26H,12-14H2,1-4H3/t15-,16-,21+/m0/s1
InChIKeyCOMCBBHOXAZBGZ-CKJXQJPGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5S)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide (CHEBI:119669) is a organofluorine compound (CHEBI:37143)
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