CHEBI:117448 - 2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide ChEBI ID CHEBI:117448 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 C27H26ClFN2O6S Net Charge 0 Average Mass 561.024 Monoisotopic Mass 560.11841 InChI InChI=1S/C27H26ClFN2O6S/c28-17-3-1-16(2-4-17)14-30-26(33)13-20-12-23-22-11-19(7-10-24(22)37-27(23)25(15-32)36-20)31-38(34,35)21-8-5-18(29)6-9-21/h1-11,20,23,25,27,31-32H,12-15H2,(H,30,33)/t20-,23+,25-,27-/m1/s1 InChIKey RQEGAPRBBMLFLJ-MBHFTIIHSA-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=C(C=C5)Cl ChEBI Ontology Outgoing 2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide (CHEBI:117448) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-28897 LINCS View more database links