CHEBI:118693 - N-[(2R,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-methoxybenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-methoxybenzenesulfonamide
ChEBI ID CHEBI:118693
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H28N2O6S
Net Charge 0
Average Mass 472.556
Monoisotopic Mass 472.16681
InChI InChI=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-/m0/s1
InChIKey NCDVBILORYBSFZ-PMVMPFDFSA-N
SMILES COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3
ChEBI Ontology
Outgoing N-[(2R,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-methoxybenzenesulfonamide (CHEBI:118693) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-30142 LINCS
View more database links