CHEBI:101737 - N-[2-[(2S,5S,6R)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[2-[(2S,5S,6R)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide ChEBI ID CHEBI:101737 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 C22H25ClN2O7S Net Charge 0 Average Mass 496.963 Monoisotopic Mass 496.10710 InChI InChI=1S/C22H25ClN2O7S/c23-15-2-5-17(6-3-15)33(28,29)25-18-7-4-16(32-21(18)12-26)9-10-24-22(27)14-1-8-19-20(11-14)31-13-30-19/h1-3,5-6,8,11,16,18,21,25-26H,4,7,9-10,12-13H2,(H,24,27)/t16-,18-,21-/m0/s1 InChIKey WVRHSCPXBJSNMQ-MDKPJZGXSA-N SMILES C1C[C@@H]([C@@H](O[C@@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl ChEBI Ontology Outgoing N-[2-[(2S,5S,6R)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide (CHEBI:101737) is a C-glycosyl compound (CHEBI:20857) Manual Xref Database LSM-13099 LINCS View more database links