5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methoxy-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methoxy-N,N-dimethyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-N,N-dimethyl-benzenesulfonamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methoxy-N,N-dimethylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide Traditional Name: 2-methoxy-N,N-dimethyl-5-(4-piperonylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C22H28N3O6S+ MolecularWeight: 462.53922

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H27N3O6S/c1-23(2)32(27,28)21-13-17(5-7-19(21)29-3)22(26)25-10-8-24(9-11-25)14-16-4-6-18-20(12-16)31-15-30-18/h4-7,12-13H,8-11,14-15H2,1-3H3/p+1