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

Systemtic Name: methyl 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[(4-piazthiol-4-ylsulfonylpiperazino)methyl]benzoic acid methyl ester Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S2/c1-27-19(24)15-7-5-14(6-8-15)13-22-9-11-23(12-10-22)29(25,26)17-4-2-3-16-18(17)21-28-20-16/h2-8H,9-13H2,1H3