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CHEBI:100005 - N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide

ChEBI IDCHEBI:100005
ChEBI NameN-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide
Stars
DownloadsMolfile
FormulaC26H32N2O7S
Net Charge0
Average Mass516.616
Monoisotopic Mass516.19302
SMILESCOc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)N4CCCCC4)O[C@@H](CO)[C@@H]2O3)c1
InChIInChI=1S/C26H32N2O7S/c1-33-18-6-5-7-20(13-18)36(31,32)27-17-8-9-23-21(12-17)22-14-19(34-24(16-29)26(22)35-23)15-25(30)28-10-3-2-4-11-28/h5-9,12-13,19,22,24,26-27,29H,2-4,10-11,14-16H2,1H3/t19-,22-,24-,26+/m0/s1
InChIKeyRXCSFWYPJHKPEM-CLKGCZJISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide (CHEBI:100005) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-11384LINCS