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

Systemtic Name: 2-fluoranyl-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 2-fluoro-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide CAS Name: 2-fluoro-N-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propyl]benzenesulfonamide IUPAC Name: 2-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Traditional Name: 2-fluoro-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Formula: C20H27FN3O2S+ MolecularWeight: 392.510683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCNS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCNS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H26FN3O2S/c1-17-6-4-7-18(16-17)24-14-12-23(13-15-24)11-5-10-22-27(25,26)20-9-3-2-8-19(20)21/h2-4,6-9,16,22H,5,10-15H2,1H3/p+1