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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C24H27N3O5S/c1-31-21-8-4-19(5-9-21)18-26-12-14-27(15-13-26)24(28)20-6-10-23(11-7-20)33(29,30)25-17-22-3-2-16-32-22/h2-11,16,25H,12-15,17-18H2,1H3/p+1