3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(2-methoxyphenyl)benzenesulfonamide

Systemtic Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(2-methoxyphenyl)benzenesulfonamide Openeye Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: 3-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: 3-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide Formula: C27H32N3O6S+ MolecularWeight: 526.62448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C27H31N3O6S/c1-34-22-11-12-25(35-2)21(17-22)19-29-13-15-30(16-14-29)27(31)20-7-6-8-23(18-20)37(32,33)28-24-9-4-5-10-26(24)36-3/h4-12,17-18,28H,13-16,19H2,1-3H3/p+1