CHEBI:110238 - 2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide

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ChEBI Name 2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
ChEBI ID CHEBI:110238
Stars This entity has been manually annotated by a third party.
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Formula C26H26FN3O6S
Net Charge 0
Average Mass 527.567
Monoisotopic Mass 527.15263
InChI InChI=1S/C26H26FN3O6S/c27-17-1-4-20(5-2-17)37(33,34)30-18-3-6-23-21(11-18)22-12-19(35-24(15-31)26(22)36-23)13-25(32)29-14-16-7-9-28-10-8-16/h1-11,19,22,24,26,30-31H,12-15H2,(H,29,32)/t19-,22-,24-,26+/m1/s1
InChIKey PIVZJJFMUFHLSR-DBSKKGOSSA-N
SMILES C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CC=NC=C5
ChEBI Ontology
Outgoing 2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:110238) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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