2-[4-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]piperazino]sulfonylbenzonitrile Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CC(=O)NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC(=O)N2CC(=O)NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N5O4S/c22-13-16-5-1-4-8-19(16)31(29,30)25-11-9-24(10-12-25)15-21(28)26-14-20(27)23-17-6-2-3-7-18(17)26/h1-8H,9-12,14-15H2,(H,23,27)