CHEBI:110344 - 2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

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ChEBI Name 2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide ChEBI ID CHEBI:110344 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H29FN2O7S Net Charge 0 Average Mass 556.605 Monoisotopic Mass 556.16795 InChI InChI=1S/C28H29FN2O7S/c1-36-20-7-2-17(3-8-20)15-30-27(33)14-21-13-24-23-12-19(6-11-25(23)38-28(24)26(16-32)37-21)31-39(34,35)22-9-4-18(29)5-10-22/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24+,26+,28-/m1/s1 InChIKey SQCXDLWHKVIWRB-HWMSKCLUSA-N SMILES COC1=CC=C(C=C1)CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F ChEBI Ontology Outgoing 2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CHEBI:110344) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-21793 LINCS View more database links