(3-cyanophenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate

Systemtic Name: (3-cyanophenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Openeye Name: (3-cyanophenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate CAS Name: 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Traditional Name: 3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid (3-cyanophenyl) ester Formula: C16H12N4O5S2 MolecularWeight: 404.42028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)C#N)NS1

Isomeric SMILES

COC(=O)NC1=NC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)C#N)NS1

InChI

InChI=1S/C16H12N4O5S2/c1-24-16(21)19-15-18-13-6-5-12(8-14(13)20-26-15)27(22,23)25-11-4-2-3-10(7-11)9-17/h2-8,20H,1H3,(H,18,19,21)