4-[[3-oxidanylidene-7-(3-phenylprop-1-ynyl)isoquinolin-2-yl]methyl]benzenesulfonamide

Systemtic Name: 4-[[3-oxidanylidene-7-(3-phenylprop-1-ynyl)isoquinolin-2-yl]methyl]benzenesulfonamide Openeye Name: 4-[[3-oxo-7-(3-phenylprop-1-ynyl)-2-isoquinolyl]methyl]benzenesulfonamide CAS Name: 4-[[3-oxo-7-(3-phenylprop-1-ynyl)-2-isoquinolinyl]methyl]benzenesulfonamide IUPAC Name: 4-[[3-oxo-7-(3-phenylprop-1-ynyl)isoquinolin-2-yl]methyl]benzenesulfonamide Traditional Name: 4-[[3-keto-7-(3-phenylprop-1-ynyl)-2-isoquinolyl]methyl]benzenesulfonamide Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C25H20N2O3S/c26-31(29,30)24-13-10-21(11-14-24)17-27-18-23-15-20(9-12-22(23)16-25(27)28)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-16,18H,7,17H2,(H2,26,29,30)