2-[(4-bromanyl-2-methylsulfonyl-phenyl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-bromanyl-2-methylsulfonyl-phenyl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-bromo-2-methylsulfonyl-phenyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-bromo-2-methylsulfonylphenyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-bromo-2-methylsulfonylphenyl)methyl]isoindole-1,3-dione Traditional Name: 2-(4-bromo-2-mesyl-benzyl)isoindoline-1,3-quinone Formula: C16H12BrNO4S MolecularWeight: 394.23978

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)Br)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)Br)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12BrNO4S/c1-23(21,22)14-8-11(17)7-6-10(14)9-18-15(19)12-4-2-3-5-13(12)16(18)20/h2-8H,9H2,1H3