6-chloranyl-2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carbaldehyde

Systemtic Name: 6-chloranyl-2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carbaldehyde Openeye Name: 6-chloro-2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carbaldehyde CAS Name: 6-chloro-2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxaldehyde IUPAC Name: 6-chloro-2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carbaldehyde Traditional Name: 6-chloro-1-keto-2-(4-mesylbenzyl)-4-phenyl-isoquinoline-3-carbaldehyde Formula: C24H18ClNO4S MolecularWeight: 451.92202

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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)Cl)C4=CC=CC=C4)C=O

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClNO4S/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/h2-13,15H,14H2,1H3