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

Systemtic Name: ethyl 4-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 4-[4-(4-fluoro-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 4-[[4-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-[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=C(C=C1)NC(=O)CCCN(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

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

InChI

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