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

Systemtic Name: dimethyl 2-[2-[(3-methoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3-methoxy-N-methylsulfonyl-anilino)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(3-methoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(N-mesyl-3-methoxy-anilino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O8S/c1-28-15-7-5-6-14(11-15)22(31(4,26)27)12-18(23)21-17-10-13(19(24)29-2)8-9-16(17)20(25)30-3/h5-11H,12H2,1-4H3,(H,21,23)