4-[4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[3-(4-methoxyphenoxy)propyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylpiazthiole Formula: C20H25N4O4S2+ MolecularWeight: 449.5669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H24N4O4S2/c1-27-16-6-8-17(9-7-16)28-15-3-10-23-11-13-24(14-12-23)30(25,26)19-5-2-4-18-20(19)22-29-21-18/h2,4-9H,3,10-15H2,1H3/p+1