dimethyl 2-[2-(phenylmethyl)sulfonylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(phenylmethyl)sulfonylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(2-benzylsulfonylacetyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-benzylsulfonylacetyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-benzylsulfonylacetyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H19NO7S/c1-26-18(22)14-8-9-15(19(23)27-2)16(10-14)20-17(21)12-28(24,25)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,21)