[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCCC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCCC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C22H27NO5S/c1-15(2)18-8-6-17(7-9-18)11-12-23-21(24)14-28-22(25)20-13-19(29(4,26)27)10-5-16(20)3/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,24)