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

Systemtic Name: 3-fluoranyl-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 3-fluoro-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide CAS Name: 3-fluoro-N-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propyl]benzenesulfonamide IUPAC Name: 3-fluoro-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Traditional Name: 3-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(=C3)F

Isomeric SMILES

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

InChI

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