diethyl 5-[(3-ethoxycarbonylphenyl)-methylsulfonyl-carbamoyl]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(3-ethoxycarbonylphenyl)-methylsulfonyl-carbamoyl]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3-ethoxycarbonylphenyl)-methylsulfonyl-carbamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[(3-ethoxycarbonyl-N-methylsulfonylanilino)-oxomethyl]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-ethoxycarbonylphenyl)-methylsulfonylcarbamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-carbethoxyphenyl)-mesyl-carbamoyl]benzene-1,3-dicarboxylic acid diethyl ester Formula: C23H25NO9S MolecularWeight: 491.5109

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC(=CC(=C2)C(=O)OCC)C(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC(=CC(=C2)C(=O)OCC)C(=O)OCC)S(=O)(=O)C

InChI

InChI=1S/C23H25NO9S/c1-5-31-21(26)15-9-8-10-19(14-15)24(34(4,29)30)20(25)16-11-17(22(27)32-6-2)13-18(12-16)23(28)33-7-3/h8-14H,5-7H2,1-4H3