methyl 5-bromanyl-2-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 5-bromanyl-2-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate Openeye Name: methyl 5-bromo-2-[[4-(3-pyridylmethylsulfanyl)phenyl]sulfamoyl]benzoate CAS Name: 5-bromo-2-[[4-(3-pyridinylmethylthio)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoate Traditional Name: 5-bromo-2-[[4-(3-pyridylmethylthio)phenyl]sulfamoyl]benzoic acid methyl ester Formula: C20H17BrN2O4S2 MolecularWeight: 493.39398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O4S2/c1-27-20(24)18-11-15(21)4-9-19(18)29(25,26)23-16-5-7-17(8-6-16)28-13-14-3-2-10-22-12-14/h2-12,23H,13H2,1H3