methyl 3-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,5-dimethyl-N-methylsulfonylanilino)propanoylamino]-4-methylbenzoate Traditional Name: 3-[2-(N-mesyl-3,5-dimethyl-anilino)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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