[3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(methoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-(carbomethoxyamino)-1H-2,1,4-benzothiadiazin-7-yl] 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)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)NS1

Isomeric SMILES

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

InChI

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