3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(furan-2-ylmethyl)benzenesulfonamide

Systemtic Name: 3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(furan-2-ylmethyl)benzenesulfonamide Openeye Name: 3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(2-furylmethyl)benzenesulfonamide CAS Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(2-furanylmethyl)benzenesulfonamide IUPAC Name: 3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide Traditional Name: N-(2-furfuryl)-3-(4-veratrylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C25H30N3O6S+ MolecularWeight: 500.5872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O6S/c1-32-23-9-8-19(15-24(23)33-2)18-27-10-12-28(13-11-27)25(29)20-5-3-7-22(16-20)35(30,31)26-17-21-6-4-14-34-21/h3-9,14-16,26H,10-13,17-18H2,1-2H3/p+1