3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile

Systemtic Name: 3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Openeye Name: 3-oxo-2-(4-oxo-1H-quinazolin-2-yl)-3-[4-(1-piperidylsulfonyl)phenyl]propanenitrile CAS Name: 3-oxo-2-(4-oxo-1H-quinazolin-2-yl)-3-[4-(1-piperidinylsulfonyl)phenyl]propanenitrile IUPAC Name: 3-oxo-2-(4-oxo-1H-quinazolin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Traditional Name: 3-keto-2-(4-keto-1H-quinazolin-2-yl)-3-(4-piperidinosulfonylphenyl)propionitrile Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H20N4O4S/c23-14-18(21-24-19-7-3-2-6-17(19)22(28)25-21)20(27)15-8-10-16(11-9-15)31(29,30)26-12-4-1-5-13-26/h2-3,6-11,18H,1,4-5,12-13H2,(H,24,25,28)