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4-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

4-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name:4-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole
Openeye Name:4-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole
CAS Name:4-[[4-[2-(2,5-dimethylphenyl)sulfonylethyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole
IUPAC Name:4-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole
Traditional Name:4-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]sulfonylpiazthiole
Formula: C20H25N4O4S3+
MolecularWeight: 481.6319
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43


Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43


InChI

InChI=1S/C20H24N4O4S3/c1-15-6-7-16(2)19(14-15)30(25,26)13-12-23-8-10-24(11-9-23)31(27,28)18-5-3-4-17-20(18)22-29-21-17/h3-7,14H,8-13H2,1-2H3/p+1


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