[3-(4-methylsulfonylphenyl)-3-oxidanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propyl] 2-chloranylethanoate

Systemtic Name: [3-(4-methylsulfonylphenyl)-3-oxidanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propyl] 2-chloranylethanoate Openeye Name: [3-hydroxy-3-(4-methylsulfonylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propyl] 2-chloroacetate CAS Name: 2-chloroacetic acid [3-hydroxy-3-(4-methylsulfonylphenyl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl] ester IUPAC Name: [3-hydroxy-3-(4-methylsulfonylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propyl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [3-hydroxy-3-(4-mesylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propyl] ester Formula: C14H15ClF3NO6S MolecularWeight: 417.78521

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(C(COC(=O)CCl)NC(=O)C(F)(F)F)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(C(COC(=O)CCl)NC(=O)C(F)(F)F)O

InChI

InChI=1S/C14H15ClF3NO6S/c1-26(23,24)9-4-2-8(3-5-9)12(21)10(7-25-11(20)6-15)19-13(22)14(16,17)18/h2-5,10,12,21H,6-7H2,1H3,(H,19,22)