[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-15-11-16(2)21(17(3)12-15)20(24)14-28-22(25)18-7-6-8-19(13-18)29(26,27)23-9-4-5-10-23/h6-8,11-13H,4-5,9-10,14H2,1-3H3