[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C15H14ClFN2O5S MolecularWeight: 388.798463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1=CNC(=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C15H14ClFN2O5S/c16-11-8-10(3-4-12(11)17)25(22,23)19-7-5-15(21)24-9-14(20)13-2-1-6-18-13/h1-4,6,8,18-19H,5,7,9H2