5-azanyl-2-[[3-chloranyl-2,6-bis(fluoranyl)pyridin-4-yl]amino]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[[3-chloranyl-2,6-bis(fluoranyl)pyridin-4-yl]amino]benzenesulfonic acid Openeye Name: 5-amino-2-[(3-chloro-2,6-difluoro-4-pyridyl)amino]benzenesulfonic acid CAS Name: 5-amino-2-[(3-chloro-2,6-difluoro-4-pyridinyl)amino]benzenesulfonic acid IUPAC Name: 5-amino-2-[(3-chloro-2,6-difluoropyridin-4-yl)amino]benzenesulfonic acid Traditional Name: 5-amino-2-[(3-chloro-2,6-difluoro-4-pyridyl)amino]besylic acid Formula: C11H8ClF2N3O3S MolecularWeight: 335.714326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)NC2=CC(=NC(=C2Cl)F)F

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)NC2=CC(=NC(=C2Cl)F)F

InChI

InChI=1S/C11H8ClF2N3O3S/c12-10-7(4-9(13)17-11(10)14)16-6-2-1-5(15)3-8(6)21(18,19)20/h1-4H,15H2,(H,16,17)(H,18,19,20)