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

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-N-propyl-benzenesulfonamide Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]-N-propyl-benzenesulfonamide CAS Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]-N-propylbenzenesulfonamide IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]-N-propylbenzenesulfonamide Traditional Name: 4-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethoxy]-N-propyl-benzenesulfonamide Formula: C23H30N3O6S+ MolecularWeight: 476.5658

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O6S/c1-2-9-24-33(28,29)20-6-4-19(5-7-20)30-16-23(27)26-12-10-25(11-13-26)15-18-3-8-21-22(14-18)32-17-31-21/h3-8,14,24H,2,9-13,15-17H2,1H3/p+1