ethyl 3-[1,2,3-benzothiadiazol-5-ylcarbonyl(methylsulfonyl)amino]benzoate

Systemtic Name: ethyl 3-[1,2,3-benzothiadiazol-5-ylcarbonyl(methylsulfonyl)amino]benzoate Openeye Name: ethyl 3-[1,2,3-benzothiadiazole-5-carbonyl(methylsulfonyl)amino]benzoate CAS Name: 3-[[1,2,3-benzothiadiazol-5-yl(oxo)methyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[1,2,3-benzothiadiazole-5-carbonyl(methylsulfonyl)amino]benzoate Traditional Name: 3-[1,2,3-benzothiadiazole-5-carbonyl(mesyl)amino]benzoic acid ethyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC3=C(C=C2)SN=N3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC3=C(C=C2)SN=N3)S(=O)(=O)C

InChI

InChI=1S/C17H15N3O5S2/c1-3-25-17(22)12-5-4-6-13(9-12)20(27(2,23)24)16(21)11-7-8-15-14(10-11)18-19-26-15/h4-10H,3H2,1-2H3