dimethyl 2-[3-(phenylmethyl)sulfonylpropanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[3-(phenylmethyl)sulfonylpropanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(3-benzylsulfonylpropanoylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(3-benzylsulfonylpropanoylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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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)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7S/c1-27-19(23)15-8-9-16(20(24)28-2)17(12-15)21-18(22)10-11-29(25,26)13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,22)