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

Systemtic Name: methyl 4-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-acetyl-N-mesyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S/c1-13(22)15-5-4-6-17(11-15)21(28(3,25)26)12-18(23)20-16-9-7-14(8-10-16)19(24)27-2/h4-11H,12H2,1-3H3,(H,20,23)