[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H21FN2O7S MolecularWeight: 452.453343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=C(C=CC(=C1)F)OC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=C(C=CC(=C1)F)OC)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H21FN2O7S/c1-12(23-31(27,28)16-7-5-15(6-8-16)22-13(2)24)20(26)30-11-18(25)17-10-14(21)4-9-19(17)29-3/h4-10,12,23H,11H2,1-3H3,(H,22,24)/t12-/m0/s1