2-fluoranyl-N-[3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 2-fluoranyl-N-[3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-2-fluoro-benzenesulfonamide CAS Name: 2-fluoro-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 2-fluoro-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]benzenesulfonamide Traditional Name: N-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-keto-propyl]-2-fluoro-benzenesulfonamide Formula: C22H27FN3O3S+ MolecularWeight: 432.531483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O3S/c23-20-10-4-5-11-21(20)30(28,29)24-13-12-22(27)26-17-15-25(16-18-26)14-6-9-19-7-2-1-3-8-19/h1-11,24H,12-18H2/p+1/b9-6+