3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-(4-methoxyphenyl)benzenesulfonamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-(4-methoxyphenyl)benzenesulfonamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-(4-methoxyphenyl)benzenesulfonamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide Traditional Name: N-(4-methoxyphenyl)-3-(4-piperonylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C26H28N3O6S+ MolecularWeight: 510.58202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O6S/c1-33-22-8-6-21(7-9-22)27-36(31,32)23-4-2-3-20(16-23)26(30)29-13-11-28(12-14-29)17-19-5-10-24-25(15-19)35-18-34-24/h2-10,15-16,27H,11-14,17-18H2,1H3/p+1