2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:110504)

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CHEBI:110504 - 2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide

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ChEBI ID	CHEBI:110504
ChEBI Name	2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
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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)NCc1ccncc1
InChI	InChI=1S/C26H26FN3O6S/c27-17-1-4-20(5-2-17)37(33,34)30-18-3-6-23-21(11-18)22-12-19(35-24(15-31)26(22)36-23)13-25(32)29-14-16-7-9-28-10-8-16/h1-11,19,22,24,26,30-31H,12-15H2,(H,29,32)/t19-,22+,24+,26-/m0/s1
InChIKey	PIVZJJFMUFHLSR-JFXHBBLLSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:110504) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-21951	LINCS