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

Systemtic Name: methyl 4-methyl-3-[2-[methylsulfonyl(phenyl)amino]propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[2-(N-methylsulfonylanilino)propanoylamino]benzoate CAS Name: 4-methyl-3-[[2-(N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[2-(N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-[2-(N-mesylanilino)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-13-10-11-15(19(23)26-3)12-17(13)20-18(22)14(2)21(27(4,24)25)16-8-6-5-7-9-16/h5-12,14H,1-4H3,(H,20,22)