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

Systemtic Name: [2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-[3-(methylcarbamoyl)anilino]-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-[3-(methylcarbamoyl)anilino]ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)NC

InChI

InChI=1S/C20H22N2O6S/c1-14-6-8-17(9-7-14)29(26,27)11-10-19(24)28-13-18(23)22-16-5-3-4-15(12-16)20(25)21-2/h3-9,12H,10-11,13H2,1-2H3,(H,21,25)(H,22,23)