ethyl 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)methyl]furan-3-carboxylic acid ethyl ester Formula: C18H21N4O5S2+ MolecularWeight: 437.51314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S2/c1-2-26-18(23)13-6-11-27-15(13)12-21-7-9-22(10-8-21)29(24,25)16-5-3-4-14-17(16)20-28-19-14/h3-6,11H,2,7-10,12H2,1H3/p+1