N-[2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]ethyl]-4-fluoranyl-benzenesulfonamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCNS(=O)(=O)C3=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)31-17-15-30(16-18-31)14-13-29-34(32,33)25-11-9-24(27)10-12-25/h7-12,19,26,29H,3-6,13-18H2,1-2H3