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CHEBI:106337 - N-[[(4S,5S)-8-(1-cyclopentenyl)-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 IDCHEBI:106337
ChEBI NameN-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC27H36N2O6S2
Net Charge0
Average Mass548.727
Monoisotopic Mass548.20148
SMILESCc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(C4=CCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21-,26+/m0/s1
InChIKeyZNXYRHHWSDGXHP-ISJBWFOZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:106337) is a sulfonamide (CHEBI:35358)
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