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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

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