ethyl 4-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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