2-(4-quinolin-8-ylcarbonylpiperazin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(4-quinolin-8-ylcarbonylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(quinoline-8-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo(8-quinolinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(quinoline-8-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(quinoline-8-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

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