ethyl 3-chloranyl-4-[2-[(4-fluorophenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[(4-fluorophenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[2-(4-fluoro-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 3-chloro-4-[[2-(4-fluoro-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[2-(4-fluoro-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-chloro-4-[2-(4-fluoro-N-mesyl-anilino)propanoylamino]benzoic acid ethyl ester Formula: C19H20ClFN2O5S MolecularWeight: 442.888903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClFN2O5S/c1-4-28-19(25)13-5-10-17(16(20)11-13)22-18(24)12(2)23(29(3,26)27)15-8-6-14(21)7-9-15/h5-12H,4H2,1-3H3,(H,22,24)