4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzenesulfonamide Openeye Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzenesulfonamide CAS Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)-3-quinazolinyl]methyl]benzenesulfonamide IUPAC Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzenesulfonamide Traditional Name: 4-[[4-keto-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzenesulfonamide Formula: C24H19N3O3S MolecularWeight: 429.49096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C24H19N3O3S/c25-31(29,30)21-12-9-20(10-13-21)16-27-17-26-23-14-11-19(15-22(23)24(27)28)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,25,29,30)