N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide (CHEBI:101222)

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CHEBI:101222 - N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide

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ChEBI ID	CHEBI:101222
ChEBI Name	N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide
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Downloads	Molfile

Formula	C26H32N2O7S
Net Charge	0
Average Mass	516.616
Monoisotopic Mass	516.19302
SMILES	COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N4CCCCC4)O[C@H](CO)[C@@H]2O3)c1
InChI	InChI=1S/C26H32N2O7S/c1-33-18-6-5-7-20(13-18)36(31,32)27-17-8-9-23-21(12-17)22-14-19(34-24(16-29)26(22)35-23)15-25(30)28-10-3-2-4-11-28/h5-9,12-13,19,22,24,26-27,29H,2-4,10-11,14-16H2,1H3/t19-,22+,24-,26-/m1/s1
InChIKey	RXCSFWYPJHKPEM-OLTCJGHMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide (CHEBI:101222) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-12591	LINCS