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

Systemtic Name: methyl 2-[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[methyl(piazthiol-4-ylsulfonyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H16N4O5S2/c1-21(28(24,25)14-9-5-8-13-16(14)20-27-19-13)10-15(22)18-12-7-4-3-6-11(12)17(23)26-2/h3-9H,10H2,1-2H3,(H,18,22)