dimethyl 2-[3-(phenylsulfonyl)propanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[3-(phenylsulfonyl)propanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[3-(benzenesulfonyl)propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(benzenesulfonyl)propanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-(3-besylpropanoylamino)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)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

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