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

Systemtic Name: methyl 4-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoylamino]benzoate CAS Name: 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoylamino]benzoate Traditional Name: 4-(3-piazthiol-4-ylsulfonylpropanoylamino)benzoic acid methyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H15N3O5S2/c1-25-17(22)11-5-7-12(8-6-11)18-15(21)9-10-27(23,24)14-4-2-3-13-16(14)20-26-19-13/h2-8H,9-10H2,1H3,(H,18,21)