(2-chloranyl-6-fluoranyl-phenyl)methyl 3-[(4-ethanoylphenyl)sulfonylamino]propanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetylphenyl)sulfonylamino]propanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetylphenyl)sulfonylamino]propionic acid (2-chloro-6-fluoro-benzyl) ester Formula: C18H17ClFNO5S MolecularWeight: 413.847683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C18H17ClFNO5S/c1-12(22)13-5-7-14(8-6-13)27(24,25)21-10-9-18(23)26-11-15-16(19)3-2-4-17(15)20/h2-8,21H,9-11H2,1H3