[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-phenylbutanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-phenylbutanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-keto-2-(4-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=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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