[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C22H24ClNO5S MolecularWeight: 449.94766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO5S/c1-14-10-15(2)21(16(3)11-14)20(25)13-29-22(26)18-12-17(6-7-19(18)23)30(27,28)24-8-4-5-9-24/h6-7,10-12H,4-5,8-9,13H2,1-3H3