N-[4-[3,4-bis(oxidanyl)phenyl]-2-ethanoyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide

Systemtic Name: N-[4-[3,4-bis(oxidanyl)phenyl]-2-ethanoyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide Openeye Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide CAS Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide IUPAC Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide Traditional Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(C2=CC(=C(C=C2C1)NS(=O)(=O)C)O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CC(=O)N1CC(C2=CC(=C(C=C2C1)NS(=O)(=O)C)O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C18H20N2O6S/c1-10(21)20-8-12-5-15(19-27(2,25)26)17(23)7-13(12)14(9-20)11-3-4-16(22)18(24)6-11/h3-7,14,19,22-24H,8-9H2,1-2H3