4-methoxy-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[[4-(3-pyridylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[[4-(3-pyridinylmethylthio)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methoxy-3-[[4-(3-pyridylmethylthio)phenyl]sulfamoyl]benzoic acid Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C20H18N2O5S2/c1-27-18-9-4-15(20(23)24)11-19(18)29(25,26)22-16-5-7-17(8-6-16)28-13-14-3-2-10-21-12-14/h2-12,22H,13H2,1H3,(H,23,24)