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

Systemtic Name: methyl 2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-phenyl-propionic acid methyl ester Formula: C17H15BrF3NO5S MolecularWeight: 482.26891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrF3NO5S/c1-26-16(23)13(9-11-5-3-2-4-6-11)22-28(24,25)15-8-7-12(18)10-14(15)27-17(19,20)21/h2-8,10,13,22H,9H2,1H3