N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)-N-piperonyl-acetamide Formula: C20H22N5O5S2+ MolecularWeight: 476.54918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H21N5O5S2/c26-19(21-11-14-4-5-16-17(10-14)30-13-29-16)12-24-6-8-25(9-7-24)32(27,28)18-3-1-2-15-20(18)23-31-22-15/h1-5,10H,6-9,11-13H2,(H,21,26)/p+1