4-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[4-(2-cyano-3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[4-(2-cyano-3-fluoro-phenyl)piperazine-1-carbonyl]-N,N-dimethyl-benzenesulfonamide Formula: C20H21FN4O3S MolecularWeight: 416.469143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4O3S/c1-23(2)29(27,28)16-8-6-15(7-9-16)20(26)25-12-10-24(11-13-25)19-5-3-4-18(21)17(19)14-22/h3-9H,10-13H2,1-2H3