CHEBI:110507 - 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

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ChEBI Name 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
ChEBI ID CHEBI:110507
Stars This entity has been manually annotated by a third party.
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Formula C23H28N2O7S
Net Charge 0
Average Mass 476.545
Monoisotopic Mass 476.16172
InChI InChI=1S/C23H28N2O7S/c1-25(2)22(27)12-16-11-19-18-9-14(7-8-20(18)32-23(19)21(13-26)31-16)24-33(28,29)17-6-4-5-15(10-17)30-3/h4-10,16,19,21,23-24,26H,11-13H2,1-3H3/t16-,19+,21+,23-/m0/s1
InChIKey OLENBHWSUKSNPF-DLBBVRJLSA-N
SMILES CN(C)C(=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,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:110507) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-21954 LINCS
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