ethyl 3-[2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(2,4,6-trimethyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-2,4,6-trimethyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=C(C=C(C=C2C)C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=C(C=C(C=C2C)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-6-28-21(25)17-8-7-9-18(12-17)22-19(24)13-23(29(5,26)27)20-15(3)10-14(2)11-16(20)4/h7-12H,6,13H2,1-5H3,(H,22,24)