methyl 4-[2-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

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