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

Systemtic Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octyl)-4-fluoranyl-N-methyl-benzenesulfonamide Openeye Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yl-octyl)-4-fluoro-N-methyl-benzenesulfonamide CAS Name: N-[6-cyano-7-methyl-6-phenyl-2-(1-piperazinyl)octyl]-4-fluoro-N-methylbenzenesulfonamide IUPAC Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazin-1-yloctyl)-4-fluoro-N-methylbenzenesulfonamide Traditional Name: N-(6-cyano-7-methyl-6-phenyl-2-piperazino-octyl)-4-fluoro-N-methyl-benzenesulfonamide Formula: C27H37FN4O2S MolecularWeight: 500.671683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37FN4O2S/c1-22(2)27(21-29,23-8-5-4-6-9-23)15-7-10-25(32-18-16-30-17-19-32)20-31(3)35(33,34)26-13-11-24(28)12-14-26/h4-6,8-9,11-14,22,25,30H,7,10,15-20H2,1-3H3