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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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