dimethyl 5-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-furylmethyl(3-pyridylmethyl)sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[2-furanylmethyl(3-pyridinylmethyl)sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[2-furfuryl(3-pyridylmethyl)sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N(CC2=CN=CC=C2)CC3=CC=CO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N(CC2=CN=CC=C2)CC3=CC=CO3)C(=O)OC

InChI

InChI=1S/C21H20N2O7S/c1-28-20(24)16-9-17(21(25)29-2)11-19(10-16)31(26,27)23(14-18-6-4-8-30-18)13-15-5-3-7-22-12-15/h3-12H,13-14H2,1-2H3