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

Systemtic Name: 1-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]-N-(4-fluorophenyl)ethanesulfonamide Openeye Name: 1-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]-N-(4-fluorophenyl)ethanesulfonamide CAS Name: 1-[4-[1-(4-cyano-3-methylphenyl)hexyl]-1-piperazinyl]-N-(4-fluorophenyl)ethanesulfonamide IUPAC Name: 1-[4-[1-(4-cyano-3-methylphenyl)hexyl]piperazin-1-yl]-N-(4-fluorophenyl)ethanesulfonamide Traditional Name: 1-[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)C(C)S(=O)(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C26H35FN4O2S/c1-4-5-6-7-26(22-8-9-23(19-28)20(2)18-22)31-16-14-30(15-17-31)21(3)34(32,33)29-25-12-10-24(27)11-13-25/h8-13,18,21,26,29H,4-7,14-17H2,1-3H3