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

Systemtic Name: 3-fluoranyl-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 3-fluoro-N-methyl-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 3-fluoro-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: 3-fluoro-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: 3-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(=C3)F

Isomeric SMILES

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

InChI

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