2-[(2S,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide (CHEBI:100161)

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CHEBI:100161 - 2-[(2S,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide

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ChEBI ID	CHEBI:100161
ChEBI Name	2-[(2S,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide
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Downloads	Molfile

Formula	C21H31N3O7S
Net Charge	0
Average Mass	469.560
Monoisotopic Mass	469.18827
SMILES	CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCOC)O[C@H]1CO2
InChI	InChI=1S/C21H31N3O7S/c1-4-32(27,28)23-14-5-8-18-16(11-14)21(26)24(2)17-7-6-15(31-19(17)13-30-18)12-20(25)22-9-10-29-3/h5,8,11,15,17,19,23H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t15-,17-,19-/m0/s1
InChIKey	RVSYYJUWHXUHRD-IEZWGBDMSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide (CHEBI:100161) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-11538	LINCS