[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H18N2O5S/c1-27(24,25)17-9-7-16(8-10-17)21-18(22)13-26-19(23)11-6-14-2-4-15(12-20)5-3-14/h2-5,7-10H,6,11,13H2,1H3,(H,21,22)