ethyl 3-[2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(2-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-isopropyl-N-mesyl-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=CC=CC=C2C(C)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-5-28-21(25)16-9-8-10-17(13-16)22-20(24)14-23(29(4,26)27)19-12-7-6-11-18(19)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,22,24)