[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2C(C)C

InChI

InChI=1S/C21H25NO5S/c1-15(2)18-6-4-5-7-19(18)22-20(23)14-27-21(24)12-13-28(25,26)17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,22,23)