[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-tert-butylphenyl)sulfonylamino]propanoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-tert-butylphenyl)sulfonylamino]propionic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FNO5S/c1-21(2,3)16-6-10-18(11-7-16)29(26,27)23-13-12-20(25)28-14-19(24)15-4-8-17(22)9-5-15/h4-11,23H,12-14H2,1-3H3