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

Systemtic Name: methyl 4-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: methyl 4-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 4-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-dimethyl-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 4-[2-(N-mesyl-3,4-dimethyl-anilino)propanoylamino]benzoic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C(C)C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C(C)C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C)C

InChI

InChI=1S/C20H24N2O5S/c1-13-6-11-18(12-14(13)2)22(28(5,25)26)15(3)19(23)21-17-9-7-16(8-10-17)20(24)27-4/h6-12,15H,1-5H3,(H,21,23)