CHEBI:117575 - 2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

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ChEBI Name 2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
ChEBI ID CHEBI:117575
Stars This entity has been manually annotated by a third party.
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Formula C27H26F2N2O6S
Net Charge 0
Average Mass 544.569
Monoisotopic Mass 544.14796
InChI InChI=1S/C27H26F2N2O6S/c28-17-4-7-21(8-5-17)38(34,35)31-19-6-9-24-22(11-19)23-12-20(36-25(15-32)27(23)37-24)13-26(33)30-14-16-2-1-3-18(29)10-16/h1-11,20,23,25,27,31-32H,12-15H2,(H,30,33)/t20-,23+,25+,27-/m0/s1
InChIKey IOAZXSSJEHBWSP-NOGZMFEUSA-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(=CC=C5)F
ChEBI Ontology
Outgoing 2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (CHEBI:117575) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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