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

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-3-methyl-N-propyl-benzenesulfonamide Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]-3-methyl-N-propyl-benzenesulfonamide CAS Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]-3-methyl-N-propylbenzenesulfonamide IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]-3-methyl-N-propylbenzenesulfonamide Traditional Name: 4-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethoxy]-3-methyl-N-propyl-benzenesulfonamide Formula: C24H32N3O6S+ MolecularWeight: 490.59238

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6S/c1-3-8-25-34(29,30)20-5-7-21(18(2)13-20)31-16-24(28)27-11-9-26(10-12-27)15-19-4-6-22-23(14-19)33-17-32-22/h4-7,13-14,25H,3,8-12,15-17H2,1-2H3/p+1