3-(2-fluorophenyl)-2-(4-methylphenyl)sulfonyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: 3-(2-fluorophenyl)-2-(4-methylphenyl)sulfonyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: 3-(tert-butoxycarbonylamino)-3-(2-fluorophenyl)-2-(p-tolylsulfonyloxy)propanoate CAS Name: 3-(2-fluorophenyl)-2-(4-methylphenyl)sulfonyloxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoate IUPAC Name: 3-(2-fluorophenyl)-2-(4-methylphenyl)sulfonyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)-3-(2-fluorophenyl)-2-tosyloxy-propionate Formula: C21H23FNO7S- MolecularWeight: 452.473223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C2=CC=CC=C2F)NC(=O)OC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C2=CC=CC=C2F)NC(=O)OC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C21H24FNO7S/c1-13-9-11-14(12-10-13)31(27,28)30-18(19(24)25)17(15-7-5-6-8-16(15)22)23-20(26)29-21(2,3)4/h5-12,17-18H,1-4H3,(H,23,26)(H,24,25)/p-1