[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-15-11-17(3)19(12-16(15)2)20(25)14-30-23(26)18-7-8-21(29-4)22(13-18)31(27,28)24-9-5-6-10-24/h7-8,11-13H,5-6,9-10,14H2,1-4H3