4-[4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-[3-(4-methoxyphenoxy)propyl]-1-piperazin-4-iumyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Formula: C20H28N3O6S2+ MolecularWeight: 470.58282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H27N3O6S2/c1-28-17-3-5-18(6-4-17)29-16-2-11-22-12-14-23(15-13-22)31(26,27)20-9-7-19(8-10-20)30(21,24)25/h3-10H,2,11-16H2,1H3,(H2,21,24,25)/p+1