CHEBI:96542 - N-[[(4S,5R)-8-(1-cyclohexenyl)-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,1-dimethyl-4-imidazolesulfonamide

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ChEBI Name N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide ChEBI ID CHEBI:96542 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H36N4O6S2 Net Charge 0 Average Mass 552.710 Monoisotopic Mass 552.20763 InChI InChI=1S/C25H36N4O6S2/c1-18-13-29(19(2)16-30)36(31,32)24-11-10-21(20-8-6-5-7-9-20)12-22(24)35-23(18)14-28(4)37(33,34)25-15-27(3)17-26-25/h8,10-12,15,17-19,23,30H,5-7,9,13-14,16H2,1-4H3/t18-,19+,23-/m0/s1 InChIKey CFEPXBTYRQWTEY-YYDVJCTNSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:96542) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-7921 LINCS View more database links