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

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-phenylbutanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-17(18-8-3-2-4-9-18)14-22(26)29-16-21(25)23-19-10-7-11-20(15-19)30(27,28)24-12-5-6-13-24/h2-4,7-11,15,17H,5-6,12-14,16H2,1H3,(H,23,25)