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

Systemtic Name: [3-(4-methylsulfonylphenyl)-3-oxidanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propyl] 2-azanylethanoate hydrochloride Openeye Name: [3-hydroxy-3-(4-methylsulfonylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propyl] 2-aminoacetate hydrochloride CAS Name: 2-aminoacetic acid [3-hydroxy-3-(4-methylsulfonylphenyl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl] ester hydrochloride IUPAC Name: [3-hydroxy-3-(4-methylsulfonylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propyl] 2-aminoacetate hydrochloride Traditional Name: 2-aminoacetic acid [3-hydroxy-3-(4-mesylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propyl] ester hydrochloride Formula: C14H18ClF3N2O6S MolecularWeight: 434.81573

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(C(COC(=O)CN)NC(=O)C(F)(F)F)O.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(C(COC(=O)CN)NC(=O)C(F)(F)F)O.Cl

InChI

InChI=1S/C14H17F3N2O6S.ClH/c1-26(23,24)9-4-2-8(3-5-9)12(21)10(7-25-11(20)6-18)19-13(22)14(15,16)17;/h2-5,10,12,21H,6-7,18H2,1H3,(H,19,22);1H