4-bromanyl-3-pyridin-3-ylazanidylsulfonyl-benzoate

Systemtic Name: 4-bromanyl-3-pyridin-3-ylazanidylsulfonyl-benzoate Openeye Name: 4-bromo-3-(3-pyridylazanidylsulfonyl)benzoate CAS Name: 4-bromo-3-(3-pyridinylazanidylsulfonyl)benzoate IUPAC Name: 4-bromo-3-pyridin-3-ylazanidylsulfonylbenzoate Traditional Name: 4-bromo-3-(3-pyridylazanidylsulfonyl)benzoate Formula: C12H7BrN2O4S-2 MolecularWeight: 355.16398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CN=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])Br

InChI

InChI=1S/C12H8BrN2O4S/c13-10-4-3-8(12(16)17)6-11(10)20(18,19)15-9-2-1-5-14-7-9/h1-7H,(H,16,17)/q-1/p-1