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

Systemtic Name: dimethyl 2-[2-[(4-bromophenyl)-methylsulfonyl-amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-bromo-N-methylsulfonyl-anilino)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(4-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(4-bromo-N-mesyl-anilino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H19BrN2O7S MolecularWeight: 499.33236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C19H19BrN2O7S/c1-28-18(24)12-4-9-15(19(25)29-2)16(10-12)21-17(23)11-22(30(3,26)27)14-7-5-13(20)6-8-14/h4-10H,11H2,1-3H3,(H,21,23)