3-fluoranyl-4-[4-[2-(2-fluorophenyl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-[2-(2-fluorophenyl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-[2-(2-fluorophenyl)-5-methylsulfonyl-benzoyl]piperazin-1-yl]benzonitrile CAS Name: 3-fluoro-4-[4-[[2-(2-fluorophenyl)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-[2-(2-fluorophenyl)-5-methylsulfonylbenzoyl]piperazin-1-yl]benzonitrile Traditional Name: 3-fluoro-4-[4-[2-(2-fluorophenyl)-5-mesyl-benzoyl]piperazino]benzonitrile Formula: C25H21F2N3O3S MolecularWeight: 481.514346

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=CC=C2F)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=CC=C2F)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C25H21F2N3O3S/c1-34(32,33)18-7-8-19(20-4-2-3-5-22(20)26)21(15-18)25(31)30-12-10-29(11-13-30)24-9-6-17(16-28)14-23(24)27/h2-9,14-15H,10-13H2,1H3