N-[4-[3,4-bis(oxidanyl)phenyl]-2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl]ethanesulfonamide

Systemtic Name: N-[4-[3,4-bis(oxidanyl)phenyl]-2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl]ethanesulfonamide Openeye Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanesulfonamide CAS Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanesulfonamide IUPAC Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanesulfonamide Traditional Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanesulfonamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC2=C(C=C1)C(CN(C2)C(=O)C)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)C(CN(C2)C(=O)C)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C19H22N2O5S/c1-3-27(25,26)20-15-5-6-16-14(8-15)10-21(12(2)22)11-17(16)13-4-7-18(23)19(24)9-13/h4-9,17,20,23-24H,3,10-11H2,1-2H3