3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]quinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-(3-fluorophenyl)sulfonylpiperazino]-8-quinolyl]benzonitrile Formula: C26H21FN4O2S MolecularWeight: 472.533943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2)S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C26H21FN4O2S/c27-22-7-3-8-23(17-22)34(32,33)31-14-12-30(13-15-31)25-11-10-20-5-2-9-24(26(20)29-25)21-6-1-4-19(16-21)18-28/h1-11,16-17H,12-15H2