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

Systemtic Name: N-(furan-2-ylmethyl)-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-furylmethyl)-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-(2-furanylmethyl)-4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-furfuryl)-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C24H28N3O5S+ MolecularWeight: 470.56122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C24H27N3O5S/c28-24(27-14-12-26(13-15-27)16-18-32-21-5-2-1-3-6-21)20-8-10-23(11-9-20)33(29,30)25-19-22-7-4-17-31-22/h1-11,17,25H,12-16,18-19H2/p+1