4-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]benzoic acid

Systemtic Name: 4-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]benzoic acid Openeye Name: 4-[4-(4-fluoro-N-methylsulfonyl-anilino)butanoylamino]benzoic acid CAS Name: 4-[[4-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]benzoic acid Traditional Name: 4-[4-(4-fluoro-N-mesyl-anilino)butanoylamino]benzoic acid Formula: C18H19FN2O5S MolecularWeight: 394.417263

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H19FN2O5S/c1-27(25,26)21(16-10-6-14(19)7-11-16)12-2-3-17(22)20-15-8-4-13(5-9-15)18(23)24/h4-11H,2-3,12H2,1H3,(H,20,22)(H,23,24)