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

Systemtic Name: 4-[4-(2-thiophen-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(2-thienyl)quinoline-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C5)C#N

Isomeric SMILES

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

InChI

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