CHEBI:101819 - N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide

ChEBI IDCHEBI:101819
ChEBI NameN-[(2R,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide
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DownloadsMolfile
FormulaC23H34N4O6S
Net Charge0
Average Mass494.614
Monoisotopic Mass494.21991
SMILESCCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N3CCN(C)CC3)O[C@@H]1CO2
InChIInChI=1S/C23H34N4O6S/c1-4-34(30,31)24-16-5-8-20-18(13-16)23(29)26(3)19-7-6-17(33-21(19)15-32-20)14-22(28)27-11-9-25(2)10-12-27/h5,8,13,17,19,21,24H,4,6-7,9-12,14-15H2,1-3H3/t17-,19+,21-/m1/s1
InChIKeyRRCKKFPVDDPSKT-SLYNCCJLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide (CHEBI:101819) is a sulfonamide (CHEBI:35358)
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LSM-13181LINCS