methyl 4-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoyloxymethyl]benzoate Openeye Name: methyl 4-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoyloxymethyl]benzoate CAS Name: 4-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoyloxymethyl]benzoate Traditional Name: 4-[2-(piazthiol-4-ylsulfonylamino)propanoyloxymethyl]benzoic acid methyl ester Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C(=O)OCC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C18H17N3O6S2/c1-11(17(22)27-10-12-6-8-13(9-7-12)18(23)26-2)21-29(24,25)15-5-3-4-14-16(15)20-28-19-14/h3-9,11,21H,10H2,1-2H3