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

Systemtic Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(furan-2-ylmethyl)benzenesulfonamide Openeye Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(2-furylmethyl)benzenesulfonamide CAS Name: 4-[[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(2-furanylmethyl)benzenesulfonamide IUPAC Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide Traditional Name: 4-[4-(4-cyanobenzyl)piperazin-4-ium-1-carbonyl]-N-(2-furfuryl)benzenesulfonamide Formula: C24H25N4O4S+ MolecularWeight: 465.5447

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C24H24N4O4S/c25-16-19-3-5-20(6-4-19)18-27-11-13-28(14-12-27)24(29)21-7-9-23(10-8-21)33(30,31)26-17-22-2-1-15-32-22/h1-10,15,26H,11-14,17-18H2/p+1