ethyl 3-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O5S/c1-3-28-20(25)15-6-4-7-17(14-15)22-19(24)8-5-13-23(29(2,26)27)18-11-9-16(21)10-12-18/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3,(H,22,24)