[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-(3-phenylpropylamino)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)NCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S/c1-17-9-11-19(12-10-17)28(25,26)15-13-21(24)27-16-20(23)22-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,22,23)