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

Systemtic Name: 4-[2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethanoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[2-cyano-2-(4-oxo-1H-quinazolin-2-yl)acetyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-cyano-1-oxo-2-(4-oxo-1H-quinazolin-2-yl)ethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-cyano-2-(4-oxo-1H-quinazolin-2-yl)acetyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-cyano-2-(4-keto-1H-quinazolin-2-yl)acetyl]-N,N-diethyl-benzenesulfonamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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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=CC=CC=C3N2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C(C#N)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H20N4O4S/c1-3-25(4-2)30(28,29)15-11-9-14(10-12-15)19(26)17(13-22)20-23-18-8-6-5-7-16(18)21(27)24-20/h5-12,17H,3-4H2,1-2H3,(H,23,24,27)