[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C16H13N3O5S2/c1-26(22,23)11-5-2-4-10(8-11)16(21)24-9-14(20)17-12-6-3-7-13-15(12)19-25-18-13/h2-8H,9H2,1H3,(H,17,20)