2-(4-quinoxalin-2-ylcarbonylpiperazin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(4-quinoxalin-2-ylcarbonylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo(2-quinoxalinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(quinoxaline-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NC3=CC=CC=C3N=C2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=NC3=CC=CC=C3N=C2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H17N5O3S/c21-13-15-5-1-4-8-19(15)29(27,28)25-11-9-24(10-12-25)20(26)18-14-22-16-6-2-3-7-17(16)23-18/h1-8,14H,9-12H2