N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-piazthiol-4-yl-acetamide Formula: C20H24N5O3S2+ MolecularWeight: 446.56626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC4=NSN=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC4=NSN=C43)C

InChI

InChI=1S/C20H23N5O3S2/c1-14-6-7-16(12-15(14)2)30(27,28)25-10-8-24(9-11-25)13-19(26)21-17-4-3-5-18-20(17)23-29-22-18/h3-7,12H,8-11,13H2,1-2H3,(H,21,26)/p+1