4-fluoranyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]benzenesulfonamide CAS Name: 4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]benzenesulfonamide Formula: C20H27FN3O2S+ MolecularWeight: 392.510683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)F)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)F)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H26FN3O2S/c1-16-3-5-17(6-4-16)20(24-13-11-23(2)12-14-24)15-22-27(25,26)19-9-7-18(21)8-10-19/h3-10,20,22H,11-15H2,1-2H3/p+1/t20-/m0/s1