2-[(6-bromanyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]-N-methylsulfonyl-benzenesulfonamide

Systemtic Name: 2-[(6-bromanyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]-N-methylsulfonyl-benzenesulfonamide Openeye Name: 2-[(6-bromo-1-oxo-4-phenyl-3-propanoyl-2-isoquinolyl)methyl]-N-methylsulfonyl-benzenesulfonamide CAS Name: 2-[[6-bromo-1-oxo-3-(1-oxopropyl)-4-phenyl-2-isoquinolinyl]methyl]-N-methylsulfonylbenzenesulfonamide IUPAC Name: 2-[(6-bromo-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]-N-methylsulfonylbenzenesulfonamide Traditional Name: 2-[(6-bromo-1-keto-4-phenyl-3-propionyl-2-isoquinolyl)methyl]-N-mesyl-benzenesulfonamide Formula: C26H23BrN2O6S2 MolecularWeight: 603.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=CC=C3S(=O)(=O)NS(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=CC=C3S(=O)(=O)NS(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H23BrN2O6S2/c1-3-22(30)25-24(17-9-5-4-6-10-17)21-15-19(27)13-14-20(21)26(31)29(25)16-18-11-7-8-12-23(18)37(34,35)28-36(2,32)33/h4-15,28H,3,16H2,1-2H3