[3-(trifluoromethyl)phenyl] 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate CAS Name: 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazine-7-sulfonate Traditional Name: 3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazine-7-sulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C16H12F3N3O5S2 MolecularWeight: 447.40879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O5S2/c1-26-15(23)21-14-20-12-6-5-11(8-13(12)22-28-14)29(24,25)27-10-4-2-3-9(7-10)16(17,18)19/h2-8,22H,1H3,(H,20,21,23)