N-(furan-2-ylmethyl)-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-furylmethyl)-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-(2-furanylmethyl)-4-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-furfuryl)-4-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H28N4O5S/c27-21(25-9-1-2-10-25)17-24-11-13-26(14-12-24)22(28)18-5-7-20(8-6-18)32(29,30)23-16-19-4-3-15-31-19/h3-8,15,23H,1-2,9-14,16-17H2/p+1