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

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO5S/c1-17(18-7-3-2-4-8-18)15-22(25)28-16-21(24)19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-23/h2-4,7-12,17H,5-6,13-16H2,1H3/t17-/m1/s1