ethyl 2-[2-[(4-fluorophenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(4-fluorophenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: ethyl 2-[2-(4-fluoro-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 2-[[2-(4-fluoro-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-fluoro-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 2-[2-(4-fluoro-N-mesyl-anilino)propanoylamino]benzoic acid ethyl ester Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C(C)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C(C)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C19H21FN2O5S/c1-4-27-19(24)16-7-5-6-8-17(16)21-18(23)13(2)22(28(3,25)26)15-11-9-14(20)10-12-15/h5-13H,4H2,1-3H3,(H,21,23)