ethyl 3-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(2,5-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-2,5-dimethyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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