[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H25N3O5S/c28-23(26-20-7-5-8-21(16-20)33(30,31)27-14-3-4-15-27)17-32-24(29)13-12-19-11-10-18-6-1-2-9-22(18)25-19/h1-2,5-11,16H,3-4,12-15,17H2,(H,26,28)