4-[1-[2-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[2-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[2-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[2-[2-(4-fluorophenyl)sulfonylethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[2-[2-(4-fluorophenyl)sulfonylethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[2-[2-(4-fluorophenyl)sulfonylethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C26H34FN3O2S MolecularWeight: 471.630463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCNCC2CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCNCC2CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H34FN3O2S/c1-3-4-5-6-26(21-7-8-22(18-28)20(2)17-21)30-15-14-29-19-24(30)13-16-33(31,32)25-11-9-23(27)10-12-25/h7-12,17,24,26,29H,3-6,13-16,19H2,1-2H3