[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C22H25NO5S/c1-16-5-6-18(13-17(16)2)14-22(25)28-15-21(24)19-7-9-20(10-8-19)29(26,27)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14-15H2,1-2H3