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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methoxy-N-methyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-N-methyl-benzenesulfonamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methoxy-N-methylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide Traditional Name: 2-methoxy-N-methyl-5-(4-piperonylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C21H26N3O6S+ MolecularWeight: 448.51264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-22-31(26,27)20-12-16(4-6-18(20)28-2)21(25)24-9-7-23(8-10-24)13-15-3-5-17-19(11-15)30-14-29-17/h3-6,11-12,22H,7-10,13-14H2,1-2H3/p+1