ethyl 4-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: ethyl 4-[2-(4-ethoxy-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 4-[[2-(4-ethoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 4-[2-(4-ethoxy-N-mesyl-anilino)propanoylamino]benzoic acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O6S/c1-5-28-19-13-11-18(12-14-19)23(30(4,26)27)15(3)20(24)22-17-9-7-16(8-10-17)21(25)29-6-2/h7-15H,5-6H2,1-4H3,(H,22,24)