3-[[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-(2-oxidanylidenepiperidin-3-yl)amino]benzenecarbonitrile

Systemtic Name: 3-[[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-(2-oxidanylidenepiperidin-3-yl)amino]benzenecarbonitrile Openeye Name: 3-[2-fluoro-4-(2-methylsulfonylphenyl)-N-(2-oxo-3-piperidyl)anilino]benzonitrile CAS Name: 3-[2-fluoro-4-(2-methylsulfonylphenyl)-N-(2-oxo-3-piperidinyl)anilino]benzonitrile IUPAC Name: 3-[2-fluoro-4-(2-methylsulfonylphenyl)-N-(2-oxopiperidin-3-yl)anilino]benzonitrile Traditional Name: 3-[2-fluoro-N-(2-keto-3-piperidyl)-4-(2-mesylphenyl)anilino]benzonitrile Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N(C3CCCNC3=O)C4=CC=CC(=C4)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N(C3CCCNC3=O)C4=CC=CC(=C4)C#N)F

InChI

InChI=1S/C25H22FN3O3S/c1-33(31,32)24-10-3-2-8-20(24)18-11-12-22(21(26)15-18)29(23-9-5-13-28-25(23)30)19-7-4-6-17(14-19)16-27/h2-4,6-8,10-12,14-15,23H,5,9,13H2,1H3,(H,28,30)