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

Systemtic Name: butyl 4-[2-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: butyl 4-[2-(4-fluoro-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 4-[[2-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-(4-fluoro-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-[2-(4-fluoro-N-mesyl-anilino)butanoylamino]benzoic acid butyl ester Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O5S/c1-4-6-15-30-22(27)16-7-11-18(12-8-16)24-21(26)20(5-2)25(31(3,28)29)19-13-9-17(23)10-14-19/h7-14,20H,4-6,15H2,1-3H3,(H,24,26)