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

Systemtic Name: [3-(propan-2-yloxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-(isopropoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[oxo(propan-2-yloxy)methyl]amino]-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(propan-2-yloxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-(isopropoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C18H16F3N3O5S2 MolecularWeight: 475.46195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O5S2/c1-10(2)28-17(25)23-16-22-14-7-6-12(9-15(14)24-30-16)29-31(26,27)13-5-3-4-11(8-13)18(19,20)21/h3-10,24H,1-2H3,(H,22,23,25)