2-[4-[(6-bromanyl-3-ethanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]phenyl]ethanesulfonamide

Systemtic Name: 2-[4-[(6-bromanyl-3-ethanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]phenyl]ethanesulfonamide Openeye Name: 2-[4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)phenyl]ethanesulfonamide CAS Name: 2-[4-[(3-acetyl-6-bromo-4-phenyl-1H-isoquinolin-2-yl)-oxomethyl]phenyl]ethanesulfonamide IUPAC Name: 2-[4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)phenyl]ethanesulfonamide Traditional Name: 2-[4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)phenyl]ethanesulfonamide Formula: C26H23BrN2O4S MolecularWeight: 539.44082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)CCS(=O)(=O)N)C=CC(=C2)Br)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)CCS(=O)(=O)N)C=CC(=C2)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H23BrN2O4S/c1-17(30)25-24(19-5-3-2-4-6-19)23-15-22(27)12-11-21(23)16-29(25)26(31)20-9-7-18(8-10-20)13-14-34(28,32)33/h2-12,15H,13-14,16H2,1H3,(H2,28,32,33)