[3-(2-methylpropoxycarbonylamino)-1H-2,1,4-benzothiadiazin-6-yl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-(2-methylpropoxycarbonylamino)-1H-2,1,4-benzothiadiazin-6-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-(isobutoxycarbonylamino)-1H-2,1,4-benzothiadiazin-6-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[2-methylpropoxy(oxo)methyl]amino]-1H-2,1,4-benzothiadiazin-6-yl] ester IUPAC Name: [3-(2-methylpropoxycarbonylamino)-1H-2,1,4-benzothiadiazin-6-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-(isobutoxycarbonylamino)-1H-2,1,4-benzothiadiazin-6-yl] ester Formula: C19H18F3N3O5S2 MolecularWeight: 489.48853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3N3O5S2/c1-11(2)10-29-18(26)24-17-23-16-9-13(6-7-15(16)25-31-17)30-32(27,28)14-5-3-4-12(8-14)19(20,21)22/h3-9,11,25H,10H2,1-2H3,(H,23,24,26)