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

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ChEBI Name 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 ID CHEBI:100005
Stars This entity has been manually annotated by a third party.
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Formula C26H32N2O7S
Net Charge 0
Average Mass 516.609
Monoisotopic Mass 516.19302
InChI InChI=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
InChIKey RXCSFWYPJHKPEM-CLKGCZJISA-N
SMILES COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)N5CCCCC5
ChEBI Ontology
Outgoing 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 Xref Database
LSM-11384 LINCS
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