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CHEBI:102837 - N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide

ChEBI IDCHEBI:102837
ChEBI NameN-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
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DownloadsMolfile
FormulaC20H29N3O6S
Net Charge0
Average Mass439.534
Monoisotopic Mass439.17771
SMILESCN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NS(C)(=O)=O)ccc4O[C@@H]3[C@@H](CO)O2)CC1
InChIInChI=1S/C20H29N3O6S/c1-22-5-7-23(8-6-22)19(25)11-14-10-16-15-9-13(21-30(2,26)27)3-4-17(15)29-20(16)18(12-24)28-14/h3-4,9,14,16,18,20-21,24H,5-8,10-12H2,1-2H3/t14-,16+,18+,20-/m0/s1
InChIKeyLHGLZDQGJZRLBC-UQWBFEFOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide (CHEBI:102837) is a sulfonamide (CHEBI:35358)
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