2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-(o-tolyl)acetamide CAS Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-N-ethyl-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide Traditional Name: N-ethyl-N-(o-tolyl)-2-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H26N5O3S2+ MolecularWeight: 460.59284

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCN(C1=CC=CC=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H25N5O3S2/c1-3-26(18-9-5-4-7-16(18)2)20(27)15-24-11-13-25(14-12-24)31(28,29)19-10-6-8-17-21(19)23-30-22-17/h4-10H,3,11-15H2,1-2H3/p+1