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

Systemtic Name: 2-(4-quinolin-2-ylcarbonylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(quinoline-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo(2-quinolinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(quinoline-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-(4-quinaldoylpiperazino)sulfonylbenzonitrile Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H18N4O3S/c22-15-17-6-2-4-8-20(17)29(27,28)25-13-11-24(12-14-25)21(26)19-10-9-16-5-1-3-7-18(16)23-19/h1-10H,11-14H2