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

Systemtic Name: ethyl 4-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(3,4-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(N-mesyl-3,4-dimethyl-anilino)acetyl]amino]-3-methyl-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)CN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

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