ethyl 2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-phenyl-propionic acid ethyl ester Formula: C18H17BrF3NO5S MolecularWeight: 496.29549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrF3NO5S/c1-2-27-17(24)14(10-12-6-4-3-5-7-12)23-29(25,26)16-9-8-13(19)11-15(16)28-18(20,21)22/h3-9,11,14,23H,2,10H2,1H3