2-[(2S,4aR,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:100886)

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CHEBI:100886 - 2-[(2S,4aR,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide

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ChEBI ID	CHEBI:100886
ChEBI Name	2-[(2S,4aR,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
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Downloads	Molfile

Formula	C29H37FN4O6S
Net Charge	0
Average Mass	588.702
Monoisotopic Mass	588.24178
SMILES	CN1C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCN3CCCCC3)CC[C@H]21
InChI	InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25+,27-/m0/s1
InChIKey	TUUZOQPHVDGSNW-RWUBSVTLSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aR,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:100886) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-12260	LINCS