N-[2-[(4-cyanophenyl)methyl]-4-methyl-1-oxidanylidene-isoquinolin-7-yl]benzenesulfonamide

Systemtic Name: N-[2-[(4-cyanophenyl)methyl]-4-methyl-1-oxidanylidene-isoquinolin-7-yl]benzenesulfonamide Openeye Name: N-[2-[(4-cyanophenyl)methyl]-4-methyl-1-oxo-7-isoquinolyl]benzenesulfonamide CAS Name: N-[2-[(4-cyanophenyl)methyl]-4-methyl-1-oxo-7-isoquinolinyl]benzenesulfonamide IUPAC Name: N-[2-[(4-cyanophenyl)methyl]-4-methyl-1-oxoisoquinolin-7-yl]benzenesulfonamide Traditional Name: N-[2-(4-cyanobenzyl)-1-keto-4-methyl-7-isoquinolyl]benzenesulfonamide Formula: C24H19N3O3S MolecularWeight: 429.49096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CN(C(=O)C2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H19N3O3S/c1-17-15-27(16-19-9-7-18(14-25)8-10-19)24(28)23-13-20(11-12-22(17)23)26-31(29,30)21-5-3-2-4-6-21/h2-13,15,26H,16H2,1H3