dimethyl 5-[2-(phenylmethyl)sulfonylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(phenylmethyl)sulfonylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-benzylsulfonylacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-benzylsulfonylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-benzylsulfonylacetyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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