2-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-bromanyl-phenoxy]benzoic acid

Systemtic Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-bromanyl-phenoxy]benzoic acid Openeye Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-bromo-phenoxy]benzoic acid CAS Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-bromophenoxy]benzoic acid IUPAC Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-bromophenoxy]benzoic acid Traditional Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-bromo-phenoxy]benzoic acid Formula: C21H12BrF6NO5S MolecularWeight: 584.283099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)OC2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)OC2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H12BrF6NO5S/c22-13-5-6-18(34-17-4-2-1-3-15(17)19(30)31)16(10-13)29-35(32,33)14-8-11(20(23,24)25)7-12(9-14)21(26,27)28/h1-10,29H,(H,30,31)