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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

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=C2CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C25H25NO5S/c1-19-11-13-22(14-12-19)32(29,30)16-15-25(28)31-18-24(27)26-23-10-6-5-9-21(23)17-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3,(H,26,27)