2-[4-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(4-oxo-1H-quinazolin-2-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(4-oxo-1H-quinazolin-2-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(4-keto-1H-quinazolin-2-yl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H21N5O4S/c23-15-16-5-1-4-8-19(16)32(30,31)27-13-11-26(12-14-27)21(28)10-9-20-24-18-7-3-2-6-17(18)22(29)25-20/h1-8H,9-14H2,(H,24,25,29)