5,5,5-tris(fluoranyl)-4-(phenylsulfonylaminomethyl)pentanoic acid

Systemtic Name: 5,5,5-tris(fluoranyl)-4-(phenylsulfonylaminomethyl)pentanoic acid Openeye Name: 4-(benzenesulfonamidomethyl)-5,5,5-trifluoro-pentanoic acid CAS Name: 4-(benzenesulfonamidomethyl)-5,5,5-trifluoropentanoic acid IUPAC Name: 4-(benzenesulfonamidomethyl)-5,5,5-trifluoropentanoic acid Traditional Name: 4-(benzenesulfonamidomethyl)-5,5,5-trifluoro-valeric acid Formula: C12H14F3NO4S MolecularWeight: 325.30407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCC(CCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCC(CCC(=O)O)C(F)(F)F

InChI

InChI=1S/C12H14F3NO4S/c13-12(14,15)9(6-7-11(17)18)8-16-21(19,20)10-4-2-1-3-5-10/h1-5,9,16H,6-8H2,(H,17,18)