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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrNO4S/c1-3-33(31,32)21-12-9-18(10-13-21)16-28-25(17(2)29)24(19-7-5-4-6-8-19)23-15-20(27)11-14-22(23)26(28)30/h4-15H,3,16H2,1-2H3