4-fluoranyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Openeye Name: 4-fluoro-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide CAS Name: 4-fluoro-N-[4-(1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Traditional Name: 4-fluoro-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Formula: C16H19FN3O2S+ MolecularWeight: 336.404363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H18FN3O2S/c17-13-1-7-16(8-2-13)23(21,22)19-14-3-5-15(6-4-14)20-11-9-18-10-12-20/h1-8,18-19H,9-12H2/p+1