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

Systemtic Name: methyl 3-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: methyl 3-[2-(4-ethoxy-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 3-[[2-(4-ethoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-[2-(4-ethoxy-N-mesyl-anilino)propanoylamino]benzoic acid methyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O6S/c1-5-28-18-11-9-17(10-12-18)22(29(4,25)26)14(2)19(23)21-16-8-6-7-15(13-16)20(24)27-3/h6-14H,5H2,1-4H3,(H,21,23)