methyl 2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C14H13BrF3N3O5S MolecularWeight: 472.23433

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NS(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NS(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

InChI

InChI=1S/C14H13BrF3N3O5S/c1-25-13(22)10(5-9-6-19-7-20-9)21-27(23,24)12-3-2-8(15)4-11(12)26-14(16,17)18/h2-4,6-7,10,21H,5H2,1H3,(H,19,20)