4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(furan-2-ylmethyl)benzenesulfonamide

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(furan-2-ylmethyl)benzenesulfonamide Openeye Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(2-furylmethyl)benzenesulfonamide CAS Name: 4-[[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(2-furanylmethyl)benzenesulfonamide IUPAC Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide Traditional Name: 4-[4-(2-fluorobenzyl)piperazin-4-ium-1-carbonyl]-N-(2-furfuryl)benzenesulfonamide Formula: C23H25FN3O4S+ MolecularWeight: 458.525703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H24FN3O4S/c24-22-6-2-1-4-19(22)17-26-11-13-27(14-12-26)23(28)18-7-9-21(10-8-18)32(29,30)25-16-20-5-3-15-31-20/h1-10,15,25H,11-14,16-17H2/p+1