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

Systemtic Name: 6-bromanyl-3-(hydroxymethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 6-bromo-3-(hydroxymethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one CAS Name: 6-bromo-3-(hydroxymethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 6-bromo-3-(hydroxymethyl)-2-[(4-methylsulfonylphenyl)methyl]-4-phenylisoquinolin-1-one Traditional Name: 6-bromo-2-(4-mesylbenzyl)-3-methylol-4-phenyl-isocarbostyril Formula: C24H20BrNO4S MolecularWeight: 498.3889

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrNO4S/c1-31(29,30)19-10-7-16(8-11-19)14-26-22(15-27)23(17-5-3-2-4-6-17)21-13-18(25)9-12-20(21)24(26)28/h2-13,27H,14-15H2,1H3