2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide (CHEBI:100469)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:100469 - 2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide

Take structure to advanced search

ChEBI ID	CHEBI:100469
ChEBI Name	2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
Stars
Downloads	Molfile

Formula	C26H26FN3O6S
Net Charge	0
Average Mass	527.574
Monoisotopic Mass	527.15263
SMILES	O=C(C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccnc1
InChI	InChI=1S/C26H26FN3O6S/c27-17-3-6-20(7-4-17)37(33,34)30-18-5-8-23-21(10-18)22-11-19(35-24(15-31)26(22)36-23)12-25(32)29-14-16-2-1-9-28-13-16/h1-10,13,19,22,24,26,30-31H,11-12,14-15H2,(H,29,32)/t19-,22-,24-,26+/m1/s1
InChIKey	MZNDQAVBBCTOIA-DBSKKGOSSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide (CHEBI:100469) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-11843	LINCS