3-[4-[(S)-cyano-(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-[(S)-cyano-(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-[(S)-cyano-(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[4-[(S)-cyano-(4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-[(S)-cyano-(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-[(S)-cyano-(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,N-diethyl-benzenesulfonamide Formula: C23H27FN4O3S MolecularWeight: 458.548883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)[C@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN4O3S/c1-3-28(4-2)32(30,31)21-7-5-6-19(16-21)23(29)27-14-12-26(13-15-27)22(17-25)18-8-10-20(24)11-9-18/h5-11,16,22H,3-4,12-15H2,1-2H3/t22-/m1/s1