dimethyl 5-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-piazthiol-4-ylsulfonylprolyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20N4O7S2 MolecularWeight: 504.5361

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43)C(=O)OC

InChI

InChI=1S/C21H20N4O7S2/c1-31-20(27)12-9-13(21(28)32-2)11-14(10-12)22-19(26)16-6-4-8-25(16)34(29,30)17-7-3-5-15-18(17)24-33-23-15/h3,5,7,9-11,16H,4,6,8H2,1-2H3,(H,22,26)