8-bromanyl-2-[4-(2-methylsulfonylphenyl)phenyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 8-bromanyl-2-[4-(2-methylsulfonylphenyl)phenyl]-4H-isoquinoline-1,3-dione Openeye Name: 8-bromo-2-[4-(2-methylsulfonylphenyl)phenyl]-4H-isoquinoline-1,3-dione CAS Name: 8-bromo-2-[4-(2-methylsulfonylphenyl)phenyl]-4H-isoquinoline-1,3-dione IUPAC Name: 8-bromo-2-[4-(2-methylsulfonylphenyl)phenyl]-4H-isoquinoline-1,3-dione Traditional Name: 8-bromo-2-[4-(2-mesylphenyl)phenyl]-4H-isoquinoline-1,3-quinone Formula: C22H16BrNO4S MolecularWeight: 470.33574

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3C(=O)CC4=C(C3=O)C(=CC=C4)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3C(=O)CC4=C(C3=O)C(=CC=C4)Br

InChI

InChI=1S/C22H16BrNO4S/c1-29(27,28)19-8-3-2-6-17(19)14-9-11-16(12-10-14)24-20(25)13-15-5-4-7-18(23)21(15)22(24)26/h2-12H,13H2,1H3