3-bromanyl-4-(pyridin-4-ylmethylsulfamoyl)benzoate

Systemtic Name: 3-bromanyl-4-(pyridin-4-ylmethylsulfamoyl)benzoate Openeye Name: 3-bromo-4-(4-pyridylmethylsulfamoyl)benzoate CAS Name: 3-bromo-4-(pyridin-4-ylmethylsulfamoyl)benzoate IUPAC Name: 3-bromo-4-(pyridin-4-ylmethylsulfamoyl)benzoate Traditional Name: 3-bromo-4-(4-pyridylmethylsulfamoyl)benzoate Formula: C13H10BrN2O4S- MolecularWeight: 370.1985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])Br)S(=O)(=O)NCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])Br)S(=O)(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C13H11BrN2O4S/c14-11-7-10(13(17)18)1-2-12(11)21(19,20)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2,(H,17,18)/p-1