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

Systemtic Name: 3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[4-(3-pyridylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[4-(3-pyridinylmethylthio)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[4-(3-pyridylmethylthio)phenyl]sulfamoyl]benzoic acid Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O4S2/c22-19(23)15-4-1-5-18(11-15)27(24,25)21-16-6-8-17(9-7-16)26-13-14-3-2-10-20-12-14/h1-12,21H,13H2,(H,22,23)