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

Systemtic Name: N-[2-[[2-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]methyl]phenyl]methanesulfonamide Openeye Name: N-[2-[[2-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]methyl]phenyl]methanesulfonamide CAS Name: N-[2-[[2-[1-(4-cyano-3-methylphenyl)hexyl]-1-piperazinyl]methyl]phenyl]methanesulfonamide IUPAC Name: N-[2-[[2-[1-(4-cyano-3-methylphenyl)hexyl]piperazin-1-yl]methyl]phenyl]methanesulfonamide Traditional Name: N-[2-[[2-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazino]methyl]phenyl]methanesulfonamide Formula: C26H36N4O2S MolecularWeight: 468.65464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CNCCN1CC2=CC=CC=C2NS(=O)(=O)C)C3=CC(=C(C=C3)C#N)C

Isomeric SMILES

CCCCCC(C1CNCCN1CC2=CC=CC=C2NS(=O)(=O)C)C3=CC(=C(C=C3)C#N)C

InChI

InChI=1S/C26H36N4O2S/c1-4-5-6-10-24(21-12-13-22(17-27)20(2)16-21)26-18-28-14-15-30(26)19-23-9-7-8-11-25(23)29-33(3,31)32/h7-9,11-13,16,24,26,28-29H,4-6,10,14-15,18-19H2,1-3H3