ethyl 4-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: ethyl 4-[2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 4-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,5-dimethyl-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 4-[2-(N-mesyl-3,5-dimethyl-anilino)propanoylamino]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=C(C=C1)NC(=O)C(C)N(C2=CC(=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N(C2=CC(=CC(=C2)C)C)S(=O)(=O)C

InChI

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