4-[2-cyano-2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)ethanoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[2-cyano-2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)ethanoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[2-cyano-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)acetyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-cyano-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-1-oxoethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-cyano-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)acetyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-cyano-2-(4-keto-6-methyl-1H-quinazolin-2-yl)acetyl]-N,N-diethyl-benzenesulfonamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)C

InChI

InChI=1S/C22H22N4O4S/c1-4-26(5-2)31(29,30)16-9-7-15(8-10-16)20(27)18(13-23)21-24-19-11-6-14(3)12-17(19)22(28)25-21/h6-12,18H,4-5H2,1-3H3,(H,24,25,28)