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

Systemtic Name: N-[2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]ethyl]-4-fluoranyl-N-methyl-benzenesulfonamide Openeye Name: N-[2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]ethyl]-4-fluoro-N-methyl-benzenesulfonamide CAS Name: N-[2-[4-[1-(4-cyano-3-methylphenyl)hexyl]-1-piperazinyl]ethyl]-4-fluoro-N-methylbenzenesulfonamide IUPAC Name: N-[2-[4-[1-(4-cyano-3-methylphenyl)hexyl]piperazin-1-yl]ethyl]-4-fluoro-N-methylbenzenesulfonamide Traditional Name: N-[2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazino]ethyl]-4-fluoro-N-methyl-benzenesulfonamide Formula: C27H37FN4O2S MolecularWeight: 500.671683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37FN4O2S/c1-4-5-6-7-27(23-8-9-24(21-29)22(2)20-23)32-18-16-31(17-19-32)15-14-30(3)35(33,34)26-12-10-25(28)11-13-26/h8-13,20,27H,4-7,14-19H2,1-3H3