6-bromanyl-2-[(4-methylsulfonylphenyl)methyl]-3-(1-oxidanyl-2-phenyl-ethyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-2-[(4-methylsulfonylphenyl)methyl]-3-(1-oxidanyl-2-phenyl-ethyl)-4-phenyl-isoquinolin-1-one Openeye Name: 6-bromo-3-(1-hydroxy-2-phenyl-ethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one CAS Name: 6-bromo-3-(1-hydroxy-2-phenylethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 6-bromo-3-(1-hydroxy-2-phenylethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenylisoquinolin-1-one Traditional Name: 6-bromo-3-(1-hydroxy-2-phenyl-ethyl)-2-(4-mesylbenzyl)-4-phenyl-isocarbostyril Formula: C31H26BrNO4S MolecularWeight: 588.51144

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(CC5=CC=CC=C5)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(CC5=CC=CC=C5)O

InChI

InChI=1S/C31H26BrNO4S/c1-38(36,37)25-15-12-22(13-16-25)20-33-30(28(34)18-21-8-4-2-5-9-21)29(23-10-6-3-7-11-23)27-19-24(32)14-17-26(27)31(33)35/h2-17,19,28,34H,18,20H2,1H3