CHEBI:110495 - 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

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ChEBI Name 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
ChEBI ID CHEBI:110495
Stars This entity has been manually annotated by a third party.
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Formula C24H30N2O7S
Net Charge 0
Average Mass 490.571
Monoisotopic Mass 490.17737
InChI InChI=1S/C24H30N2O7S/c1-3-9-25-23(28)13-17-12-20-19-10-15(7-8-21(19)33-24(20)22(14-27)32-17)26-34(29,30)18-6-4-5-16(11-18)31-2/h4-8,10-11,17,20,22,24,26-27H,3,9,12-14H2,1-2H3,(H,25,28)/t17-,20+,22-,24-/m1/s1
InChIKey YUJPPMQDMPRDFH-LWSJSWBQSA-N
SMILES CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)OC
ChEBI Ontology
Outgoing 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide (CHEBI:110495) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-21942 LINCS
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