4-bromanyl-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate

Systemtic Name: 4-bromanyl-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate Openeye Name: 4-bromo-3-[[4-(3-pyridylmethylsulfanyl)phenyl]sulfamoyl]benzoate CAS Name: 4-bromo-3-[[4-(3-pyridinylmethylthio)phenyl]sulfamoyl]benzoate IUPAC Name: 4-bromo-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate Traditional Name: 4-bromo-3-[[4-(3-pyridylmethylthio)phenyl]sulfamoyl]benzoate Formula: C19H14BrN2O4S2- MolecularWeight: 478.35946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)[O-])Br

InChI

InChI=1S/C19H15BrN2O4S2/c20-17-8-3-14(19(23)24)10-18(17)28(25,26)22-15-4-6-16(7-5-15)27-12-13-2-1-9-21-11-13/h1-11,22H,12H2,(H,23,24)/p-1