ethyl 3-[methylsulfonyl-[2-(3,4,5-trimethoxyphenyl)ethanoyl]amino]benzoate

Systemtic Name: ethyl 3-[methylsulfonyl-[2-(3,4,5-trimethoxyphenyl)ethanoyl]amino]benzoate Openeye Name: ethyl 3-[methylsulfonyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoate CAS Name: 3-[methylsulfonyl-[1-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[methylsulfonyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoate Traditional Name: 3-[mesyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid ethyl ester Formula: C21H25NO8S MolecularWeight: 451.4901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CC2=CC(=C(C(=C2)OC)OC)OC)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CC2=CC(=C(C(=C2)OC)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C21H25NO8S/c1-6-30-21(24)15-8-7-9-16(13-15)22(31(5,25)26)19(23)12-14-10-17(27-2)20(29-4)18(11-14)28-3/h7-11,13H,6,12H2,1-5H3