2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]-N-(4-fluorophenyl)ethanesulfonamide

Systemtic Name: 2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]-N-(4-fluorophenyl)ethanesulfonamide Openeye Name: 2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazin-1-yl]-N-(4-fluorophenyl)ethanesulfonamide CAS Name: 2-[4-(4-cyano-5-methyl-4-phenylhexyl)-1-piperazinyl]-N-(4-fluorophenyl)ethanesulfonamide IUPAC Name: 2-[4-(4-cyano-5-methyl-4-phenylhexyl)piperazin-1-yl]-N-(4-fluorophenyl)ethanesulfonamide Traditional Name: 2-[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazino]-N-(4-fluorophenyl)ethanesulfonamide Formula: C26H35FN4O2S MolecularWeight: 486.645103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCS(=O)(=O)NC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCS(=O)(=O)NC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H35FN4O2S/c1-22(2)26(21-28,23-7-4-3-5-8-23)13-6-14-30-15-17-31(18-16-30)19-20-34(32,33)29-25-11-9-24(27)10-12-25/h3-5,7-12,22,29H,6,13-20H2,1-2H3