methyl 3-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-4-methyl-benzoate CAS Name: 3-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-4-methylbenzoate Traditional Name: 3-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-4-methyl-benzoic acid methyl ester Formula: C16H13BrF3NO5S MolecularWeight: 468.24233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

InChI

InChI=1S/C16H13BrF3NO5S/c1-9-3-4-10(15(22)25-2)7-12(9)21-27(23,24)14-6-5-11(17)8-13(14)26-16(18,19)20/h3-8,21H,1-2H3