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CHEBI:118750 - N-[(2R,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-methoxybenzenesulfonamide

ChEBI IDCHEBI:118750
ChEBI NameN-[(2R,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-methoxybenzenesulfonamide
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FormulaC24H28N2O6S
Net Charge0
Average Mass472.563
Monoisotopic Mass472.16681
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H]2CO)cc1
InChIInChI=1S/C24H28N2O6S/c1-31-19-6-9-21(10-7-19)33(29,30)25-22-11-8-20(32-23(22)16-27)14-24(28)26-13-12-17-4-2-3-5-18(17)15-26/h2-11,20,22-23,25,27H,12-16H2,1H3/t20-,22-,23+/m1/s1
InChIKeyNCDVBILORYBSFZ-MZYLBHOOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-methoxybenzenesulfonamide (CHEBI:118750) is a isoquinolines (CHEBI:24922)
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