[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(methylsulfinylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(methylsulfinylmethyl)benzoate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC(=CC=C2)CS(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC(=CC=C2)CS(=O)C

InChI

InChI=1S/C22H27NO4S/c1-16(2)19-9-7-17(8-10-19)11-12-23-21(24)14-27-22(25)20-6-4-5-18(13-20)15-28(3)26/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,24)