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

Systemtic Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(4-methylphenyl)benzenesulfonamide Openeye Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(p-tolyl)benzenesulfonamide CAS Name: 3-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 3-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-carbonyl]-N-(p-tolyl)benzenesulfonamide Formula: C27H32N3O5S+ MolecularWeight: 510.62508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C27H31N3O5S/c1-20-7-9-23(10-8-20)28-36(32,33)25-6-4-5-21(18-25)27(31)30-15-13-29(14-16-30)19-22-17-24(34-2)11-12-26(22)35-3/h4-12,17-18,28H,13-16,19H2,1-3H3/p+1