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

Systemtic Name: N-[4-[3,4-bis(oxidanyl)phenyl]-2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide Openeye Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide CAS Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide IUPAC Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide Traditional Name: N-[2-acetyl-4-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(C2=C(C1)C=C(C=C2)NS(=O)(=O)C)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CC(=O)N1CC(C2=C(C1)C=C(C=C2)NS(=O)(=O)C)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C18H20N2O5S/c1-11(21)20-9-13-7-14(19-26(2,24)25)4-5-15(13)16(10-20)12-3-6-17(22)18(23)8-12/h3-8,16,19,22-23H,9-10H2,1-2H3