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

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-3-methyl-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]-N-isobutyl-3-methyl-benzenesulfonamide CAS Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]-3-methyl-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]-3-methyl-N-(2-methylpropyl)benzenesulfonamide Traditional Name: N-isobutyl-4-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethoxy]-3-methyl-benzenesulfonamide Formula: C25H34N3O6S+ MolecularWeight: 504.61896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H33N3O6S/c1-18(2)14-26-35(30,31)21-5-7-22(19(3)12-21)32-16-25(29)28-10-8-27(9-11-28)15-20-4-6-23-24(13-20)34-17-33-23/h4-7,12-13,18,26H,8-11,14-17H2,1-3H3/p+1