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

Systemtic Name: ethyl 4-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-acetyl-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-4-28-20(25)15-8-10-17(11-9-15)21-19(24)13-22(29(3,26)27)18-7-5-6-16(12-18)14(2)23/h5-12H,4,13H2,1-3H3,(H,21,24)