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

Systemtic Name: 3-[2-(4-methylsulfonylpiperazin-1-yl)quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-(4-methylsulfonylpiperazin-1-yl)-8-quinolyl]benzonitrile CAS Name: 3-[2-(4-methylsulfonyl-1-piperazinyl)-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-(4-methylsulfonylpiperazin-1-yl)quinolin-8-yl]benzonitrile Traditional Name: 3-[2-(4-mesylpiperazino)-8-quinolyl]benzonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2

InChI

InChI=1S/C21H20N4O2S/c1-28(26,27)25-12-10-24(11-13-25)20-9-8-17-5-3-7-19(21(17)23-20)18-6-2-4-16(14-18)15-22/h2-9,14H,10-13H2,1H3