[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2,4-di(propan-2-yl)benzoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2,4-di(propan-2-yl)benzoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 2,4-diisopropylbenzoate CAS Name: 2,4-di(propan-2-yl)benzoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 2,4-di(propan-2-yl)benzoate Traditional Name: 2,4-diisopropylbenzoic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C(C)C

InChI

InChI=1S/C22H27NO5S/c1-14(2)16-9-10-19(20(11-16)15(3)4)22(25)28-13-21(24)23-17-7-6-8-18(12-17)29(5,26)27/h6-12,14-15H,13H2,1-5H3,(H,23,24)