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

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(N-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)N(C2=CC=CC=C2)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N(C2=CC=CC=C2)C(C)C

InChI

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