CHEBI:123047 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide ChEBI ID CHEBI:123047 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 C18H26N2O7S Net Charge 0 Average Mass 414.475 Monoisotopic Mass 414.14607 InChI InChI=1S/C18H26N2O7S/c1-25-6-5-19-17(22)9-12-8-14-13-7-11(20-28(2,23)24)3-4-15(13)27-18(14)16(10-21)26-12/h3-4,7,12,14,16,18,20-21H,5-6,8-10H2,1-2H3,(H,19,22)/t12-,14-,16-,18+/m1/s1 InChIKey NJJKNLQQLZQTIZ-BQUDOFGOSA-N SMILES COCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C ChEBI Ontology Outgoing 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide (CHEBI:123047) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-34490 LINCS View more database links