ethyl 3-[2-[(4-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[2-[(4-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[2-(4-ethyl-N-methylsulfonyl-anilino)acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-(4-ethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(4-ethyl-N-mesyl-anilino)acetyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2C)C(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2C)C(=O)OCC)S(=O)(=O)C

InChI

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