4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-[4-(2-furylmethyl)piperazin-4-ium-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-[[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-[4-(2-furfuryl)piperazin-4-ium-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C23H23F3N3O4S+ MolecularWeight: 494.50663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H22F3N3O4S/c24-23(25,26)18-3-1-4-19(15-18)27-34(31,32)21-8-6-17(7-9-21)22(30)29-12-10-28(11-13-29)16-20-5-2-14-33-20/h1-9,14-15,27H,10-13,16H2/p+1