dimethyl 5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(3-pyridylmethylsulfanyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(3-pyridinylmethylthio)phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(3-pyridylmethylthio)phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H20N2O6S2 MolecularWeight: 472.534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C22H20N2O6S2/c1-29-21(25)16-10-17(22(26)30-2)12-20(11-16)32(27,28)24-18-5-7-19(8-6-18)31-14-15-4-3-9-23-13-15/h3-13,24H,14H2,1-2H3