dimethyl 2-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(3-acetyl-N-mesyl-anilino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O8S/c1-13(24)14-6-5-7-16(10-14)23(32(4,28)29)12-19(25)22-18-11-15(20(26)30-2)8-9-17(18)21(27)31-3/h5-11H,12H2,1-4H3,(H,22,25)