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

Systemtic Name: ethyl 3-[2-[(4-fluorophenyl)-methylsulfonyl-amino]propanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[2-(4-fluoro-N-methylsulfonyl-anilino)propanoylamino]-2-methyl-benzoate CAS Name: 3-[[2-(4-fluoro-N-methylsulfonylanilino)-1-oxopropyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-fluoro-N-methylsulfonylanilino)propanoylamino]-2-methylbenzoate Traditional Name: 3-[2-(4-fluoro-N-mesyl-anilino)propanoylamino]-2-methyl-benzoic acid ethyl ester Formula: C20H23FN2O5S MolecularWeight: 422.470423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O5S/c1-5-28-20(25)17-7-6-8-18(13(17)2)22-19(24)14(3)23(29(4,26)27)16-11-9-15(21)10-12-16/h6-12,14H,5H2,1-4H3,(H,22,24)