6-bromanyl-2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonyl chloride

Systemtic Name: 6-bromanyl-2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonyl chloride Openeye Name: 6-bromo-2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carbonyl chloride CAS Name: 6-bromo-2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarbonyl chloride IUPAC Name: 6-bromo-2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carbonyl chloride Traditional Name: 6-bromo-1-keto-2-(4-mesylbenzyl)-4-phenyl-isoquinoline-3-carbonyl chloride Formula: C24H17BrClNO4S MolecularWeight: 530.81808

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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(=O)Cl

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(=O)Cl

InChI

InChI=1S/C24H17BrClNO4S/c1-32(30,31)18-10-7-15(8-11-18)14-27-22(23(26)28)21(16-5-3-2-4-6-16)20-13-17(25)9-12-19(20)24(27)29/h2-13H,14H2,1H3