2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 1-keto-2-(4-mesylbenzyl)-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H19NO5S MolecularWeight: 433.47636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H19NO5S/c1-31(29,30)18-13-11-16(12-14-18)15-25-22(24(27)28)21(17-7-3-2-4-8-17)19-9-5-6-10-20(19)23(25)26/h2-14H,15H2,1H3,(H,27,28)