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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNS(=O)(=O)C2=CC=CC(=C2)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCNS(=O)(=O)C2=CC=CC(=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H26FN3O2S/c21-19-8-4-9-20(16-19)27(25,26)22-10-5-11-23-12-14-24(15-13-23)17-18-6-2-1-3-7-18/h1-4,6-9,16,22H,5,10-15,17H2/p+1