4-fluoranyl-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-fluoro-N-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O3S/c1-16-4-2-3-5-17(16)15-23-10-12-24(13-11-23)20(25)14-22-28(26,27)19-8-6-18(21)7-9-19/h2-9,22H,10-15H2,1H3/p+1