2-fluoranyl-4-[4-[5-(2-methylsulfonylphenyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-[4-[5-(2-methylsulfonylphenyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[4-[5-(2-methylsulfonylphenyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-4-[4-[5-(2-methylsulfonylphenyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-4-[4-[5-(2-methylsulfonylphenyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-4-[4-[5-(2-mesylphenyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]piperazino]benzonitrile Formula: C26H30FN3O2S MolecularWeight: 467.598703

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2CC3CC(CC3C2)N4CCN(CC4)C5=CC(=C(C=C5)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2CC3CC(CC3C2)N4CCN(CC4)C5=CC(=C(C=C5)C#N)F

InChI

InChI=1S/C26H30FN3O2S/c1-33(31,32)26-5-3-2-4-24(26)21-12-19-14-23(15-20(19)13-21)30-10-8-29(9-11-30)22-7-6-18(17-28)25(27)16-22/h2-7,16,19-21,23H,8-15H2,1H3