2-(4-bromanylphenoxy)-3-[phenylsulfonyl(trifluoromethyl)amino]benzoate

Systemtic Name: 2-(4-bromanylphenoxy)-3-[phenylsulfonyl(trifluoromethyl)amino]benzoate Openeye Name: 3-[benzenesulfonyl(trifluoromethyl)amino]-2-(4-bromophenoxy)benzoate CAS Name: 3-[benzenesulfonyl(trifluoromethyl)amino]-2-(4-bromophenoxy)benzoate IUPAC Name: 3-[benzenesulfonyl(trifluoromethyl)amino]-2-(4-bromophenoxy)benzoate Traditional Name: 3-[besyl(trifluoromethyl)amino]-2-(4-bromophenoxy)benzoate Formula: C20H12BrF3NO5S- MolecularWeight: 515.27719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC(=C2OC3=CC=C(C=C3)Br)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC(=C2OC3=CC=C(C=C3)Br)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H13BrF3NO5S/c21-13-9-11-14(12-10-13)30-18-16(19(26)27)7-4-8-17(18)25(20(22,23)24)31(28,29)15-5-2-1-3-6-15/h1-12H,(H,26,27)/p-1