dimethyl 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)pyrazol-1-yl]pentanedioate CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-(piazthiol-4-ylsulfonylamino)pyrazol-1-yl]glutaric acid dimethyl ester Formula: C16H17N5O6S2 MolecularWeight: 439.46608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C16H17N5O6S2/c1-26-14(22)6-11(7-15(23)27-2)21-9-10(8-17-21)20-29(24,25)13-5-3-4-12-16(13)19-28-18-12/h3-5,8-9,11,20H,6-7H2,1-2H3