2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]-N-(4-fluorophenyl)ethanesulfonamide

Systemtic Name: 2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]-N-(4-fluorophenyl)ethanesulfonamide Openeye Name: 2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]-N-(4-fluorophenyl)ethanesulfonamide CAS Name: 2-[4-[1-(4-cyano-3-methylphenyl)hexyl]-1-piperazinyl]-N-(4-fluorophenyl)ethanesulfonamide IUPAC Name: 2-[4-[1-(4-cyano-3-methylphenyl)hexyl]piperazin-1-yl]-N-(4-fluorophenyl)ethanesulfonamide Traditional Name: 2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazino]-N-(4-fluorophenyl)ethanesulfonamide Formula: C26H35FN4O2S MolecularWeight: 486.645103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCS(=O)(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCS(=O)(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C26H35FN4O2S/c1-3-4-5-6-26(22-7-8-23(20-28)21(2)19-22)31-15-13-30(14-16-31)17-18-34(32,33)29-25-11-9-24(27)10-12-25/h7-12,19,26,29H,3-6,13-18H2,1-2H3