4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-N-(2-methylphenyl)benzenesulfonamide

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-N-(2-methylphenyl)benzenesulfonamide Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]-N-(o-tolyl)benzenesulfonamide CAS Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]-N-(2-methylphenyl)benzenesulfonamide IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]-N-(2-methylphenyl)benzenesulfonamide Traditional Name: 4-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethoxy]-N-(o-tolyl)benzenesulfonamide Formula: C27H30N3O6S+ MolecularWeight: 524.6086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O6S/c1-20-4-2-3-5-24(20)28-37(32,33)23-9-7-22(8-10-23)34-18-27(31)30-14-12-29(13-15-30)17-21-6-11-25-26(16-21)36-19-35-25/h2-11,16,28H,12-15,17-19H2,1H3/p+1