CHEBI:100690 - 2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide

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ChEBI Name 2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide ChEBI ID CHEBI:100690 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 C27H34FN3O6S Net Charge 0 Average Mass 547.641 Monoisotopic Mass 547.21524 InChI InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23-,25+,27+/m1/s1 InChIKey PHBUKTREHITDBU-BQLGRQSHSA-N SMILES C1CCN(CC1)CCNC(=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,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:100690) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-12064 LINCS View more database links