CHEBI:100522 - 2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

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ChEBI Name 2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide ChEBI ID CHEBI:100522 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/c1-36-24-5-3-2-4-17(24)15-30-27(33)14-20-13-23-22-12-19(8-11-25(22)38-28(23)26(16-32)37-20)31-39(34,35)21-9-6-18(29)7-10-21/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23-,26+,28+/m0/s1 InChIKey CRNISVWSFUFTQR-QUPYCJFYSA-N SMILES COC1=CC=CC=C1CNC(=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-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:100522) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-11896 LINCS View more database links