CHEBI:100083 - N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide

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ChEBI Name N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide
ChEBI ID CHEBI:100083
Stars This entity has been manually annotated by a third party.
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Formula C24H28N2O7S
Net Charge 0
Average Mass 488.555
Monoisotopic Mass 488.16172
InChI InChI=1S/C24H28N2O7S/c27-15-22-24-20(13-17(32-22)14-23(28)26-8-10-31-11-9-26)19-12-16(6-7-21(19)33-24)25-34(29,30)18-4-2-1-3-5-18/h1-7,12,17,20,22,24-25,27H,8-11,13-15H2/t17-,20-,22-,24+/m1/s1
InChIKey CJNJMLGGDUQPOS-QSOCRCLWSA-N
SMILES C1COCCN1C(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5
ChEBI Ontology
Outgoing N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide (CHEBI:100083) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-11462 LINCS
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