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

Systemtic Name: ethyl 2-methyl-3-[2-[methylsulfonyl(phenyl)amino]propanoylamino]benzoate Openeye Name: ethyl 2-methyl-3-[2-(N-methylsulfonylanilino)propanoylamino]benzoate CAS Name: 2-methyl-3-[[2-(N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[2-(N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-[2-(N-mesylanilino)propanoylamino]-2-methyl-benzoic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-5-27-20(24)17-12-9-13-18(14(17)2)21-19(23)15(3)22(28(4,25)26)16-10-7-6-8-11-16/h6-13,15H,5H2,1-4H3,(H,21,23)