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

Systemtic Name: 3-[4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-(3-pyridylmethylsulfanyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-(3-pyridinylmethylthio)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[4-(3-pyridylmethylthio)phenyl]sulfamoyl]phenyl]propionic acid Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S2/c24-21(25)12-5-16-3-10-20(11-4-16)29(26,27)23-18-6-8-19(9-7-18)28-15-17-2-1-13-22-14-17/h1-4,6-11,13-14,23H,5,12,15H2,(H,24,25)