2-[4-(2-thiophen-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-thiophen-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-thienyl)quinoline-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-thienyl)quinoline-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C25H20N4O3S2 MolecularWeight: 488.5813

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C25H20N4O3S2/c26-17-18-6-1-4-10-24(18)34(31,32)29-13-11-28(12-14-29)25(30)20-16-22(23-9-5-15-33-23)27-21-8-3-2-7-19(20)21/h1-10,15-16H,11-14H2