2-fluoranyl-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: 2-fluoranyl-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 2-fluoro-N-methyl-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 2-fluoro-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: 2-fluoro-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: 2-fluoro-N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-N-methyl-benzenesulfonamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3O3S/c1-17-6-5-7-18(14-17)15-24-10-12-25(13-11-24)21(26)16-23(2)29(27,28)20-9-4-3-8-19(20)22/h3-9,14H,10-13,15-16H2,1-2H3/p+1