(2-chloranyl-6-fluoranyl-phenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propionic acid (2-chloro-6-fluoro-benzyl) ester Formula: C17H14ClF4NO4S MolecularWeight: 439.808973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=CC=C2Cl)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=CC=C2Cl)F)C(F)(F)F

InChI

InChI=1S/C17H14ClF4NO4S/c18-14-5-2-6-15(19)13(14)10-27-16(24)7-8-23-28(25,26)12-4-1-3-11(9-12)17(20,21)22/h1-6,9,23H,7-8,10H2