2-[4-(2-phenylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-phenylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-(2-phenyl-4-quinolinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-phenylquinoline-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O3S/c28-19-21-10-4-7-13-26(21)35(33,34)31-16-14-30(15-17-31)27(32)23-18-25(20-8-2-1-3-9-20)29-24-12-6-5-11-22(23)24/h1-13,18H,14-17H2