[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-(5-phenylfuran-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-(5-phenylfuran-2-yl)propanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-(5-phenyl-2-furyl)propanoate CAS Name: 3-(5-phenyl-2-furanyl)propanoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-(5-phenylfuran-2-yl)propanoate Traditional Name: 3-(5-phenyl-2-furyl)propionic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCC3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCC3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O6S/c28-24(26-20-9-6-10-22(17-20)34(30,31)27-15-4-5-16-27)18-32-25(29)14-12-21-11-13-23(33-21)19-7-2-1-3-8-19/h1-3,6-11,13,17H,4-5,12,14-16,18H2,(H,26,28)