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

Systemtic Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-methyl-N-phenyl-benzenesulfonamide Openeye Name: 4-[4-(2-furylmethyl)piperazin-4-ium-1-carbonyl]-N-methyl-N-phenyl-benzenesulfonamide CAS Name: 4-[[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-methyl-N-phenylbenzenesulfonamide IUPAC Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide Traditional Name: 4-[4-(2-furfuryl)piperazin-4-ium-1-carbonyl]-N-methyl-N-phenyl-benzenesulfonamide Formula: C23H26N3O4S+ MolecularWeight: 440.53524

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C23H25N3O4S/c1-24(20-6-3-2-4-7-20)31(28,29)22-11-9-19(10-12-22)23(27)26-15-13-25(14-16-26)18-21-8-5-17-30-21/h2-12,17H,13-16,18H2,1H3/p+1