N-[2-(2-fluorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(2-fluorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[2-(2-fluorophenyl)ethyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24FN3O3S/c21-19-9-5-4-6-17(19)10-11-22-20(25)16-23-12-14-24(15-13-23)28(26,27)18-7-2-1-3-8-18/h1-9H,10-16H2,(H,22,25)/p+1