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

Systemtic Name: [3-(ethoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-(ethoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-(ethoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] ester IUPAC Name: [3-(ethoxycarbonylamino)-1H-2,1,4-benzothiadiazin-7-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-(carbethoxyamino)-1H-2,1,4-benzothiadiazin-7-yl] ester Formula: C17H14F3N3O5S2 MolecularWeight: 461.43537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O5S2/c1-2-27-16(24)22-15-21-13-7-6-11(9-14(13)23-29-15)28-30(25,26)12-5-3-4-10(8-12)17(18,19)20/h3-9,23H,2H2,1H3,(H,21,22,24)