[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C)C

InChI

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