N-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octyl)-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octyl)-4-fluoranyl-benzenesulfonamide Openeye Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octyl)-4-fluoro-benzenesulfonamide CAS Name: N-[6-cyano-7-methyl-6-phenyl-2-(1-piperazinyl)octyl]-4-fluorobenzenesulfonamide IUPAC Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yloctyl)-4-fluorobenzenesulfonamide Traditional Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazino-octyl)-4-fluoro-benzenesulfonamide Formula: C26H35FN4O2S MolecularWeight: 486.645103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(CNS(=O)(=O)C1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(CNS(=O)(=O)C1=CC=C(C=C1)F)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

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