methyl 3-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-(4-piazthiol-4-ylsulfonylpiperazino)acetyl]amino]benzoic acid methyl ester Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H21N5O5S2/c1-30-20(27)14-4-2-5-15(12-14)21-18(26)13-24-8-10-25(11-9-24)32(28,29)17-7-3-6-16-19(17)23-31-22-16/h2-7,12H,8-11,13H2,1H3,(H,21,26)