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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-(4-methylphenyl)benzenesulfonamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(p-tolyl)benzenesulfonamide CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 4-(4-piperonylpiperazin-4-ium-1-carbonyl)-N-(p-tolyl)benzenesulfonamide Formula: C26H28N3O5S+ MolecularWeight: 494.58262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O5S/c1-19-2-7-22(8-3-19)27-35(31,32)23-9-5-21(6-10-23)26(30)29-14-12-28(13-15-29)17-20-4-11-24-25(16-20)34-18-33-24/h2-11,16,27H,12-15,17-18H2,1H3/p+1