ethyl 3-[3-[2,5-bis(trifluoromethyl)phenyl]propanoyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[3-[2,5-bis(trifluoromethyl)phenyl]propanoyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[3-[2,5-bis(trifluoromethyl)phenyl]propanoyl-methylsulfonyl-amino]benzoate CAS Name: 3-[[3-[2,5-bis(trifluoromethyl)phenyl]-1-oxopropyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2,5-bis(trifluoromethyl)phenyl]propanoyl-methylsulfonylamino]benzoate Traditional Name: 3-[3-[2,5-bis(trifluoromethyl)phenyl]propanoyl-mesyl-amino]benzoic acid ethyl ester Formula: C21H19F6NO5S MolecularWeight: 511.434679

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCC2=C(C=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCC2=C(C=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C21H19F6NO5S/c1-3-33-19(30)14-5-4-6-16(12-14)28(34(2,31)32)18(29)10-7-13-11-15(20(22,23)24)8-9-17(13)21(25,26)27/h4-6,8-9,11-12H,3,7,10H2,1-2H3