[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C23H27NO7S/c1-15-11-16(2)22(17(3)12-15)19(25)14-31-23(26)18-5-6-20(29-4)21(13-18)32(27,28)24-7-9-30-10-8-24/h5-6,11-13H,7-10,14H2,1-4H3