4-[4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[2-(2-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylpiazthiole Formula: C18H20ClN4O3S2+ MolecularWeight: 439.9594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H19ClN4O3S2/c19-14-4-1-2-6-16(14)26-13-12-22-8-10-23(11-9-22)28(24,25)17-7-3-5-15-18(17)21-27-20-15/h1-7H,8-13H2/p+1