6-bromanyl-3-ethanoyl-2-[[4-(methylsulfonylmethyl)phenyl]methyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-3-ethanoyl-2-[[4-(methylsulfonylmethyl)phenyl]methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-acetyl-6-bromo-2-[[4-(methylsulfonylmethyl)phenyl]methyl]-4-phenyl-isoquinolin-1-one CAS Name: 3-acetyl-6-bromo-2-[[4-(methylsulfonylmethyl)phenyl]methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 3-acetyl-6-bromo-2-[[4-(methylsulfonylmethyl)phenyl]methyl]-4-phenylisoquinolin-1-one Traditional Name: 3-acetyl-6-bromo-2-[4-(mesylmethyl)benzyl]-4-phenyl-isocarbostyril Formula: C26H22BrNO4S MolecularWeight: 524.42618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)CS(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)CS(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H22BrNO4S/c1-17(29)25-24(20-6-4-3-5-7-20)23-14-21(27)12-13-22(23)26(30)28(25)15-18-8-10-19(11-9-18)16-33(2,31)32/h3-14H,15-16H2,1-2H3