2-(azepan-1-ylsulfonylamino)-5-fluoranyl-benzoic acid

Systemtic Name: 2-(azepan-1-ylsulfonylamino)-5-fluoranyl-benzoic acid Openeye Name: 2-(azepan-1-ylsulfonylamino)-5-fluoro-benzoic acid CAS Name: 2-(1-azepanylsulfonylamino)-5-fluorobenzoic acid IUPAC Name: 2-(azepan-1-ylsulfonylamino)-5-fluorobenzoic acid Traditional Name: 2-(azepan-1-ylsulfonylamino)-5-fluoro-benzoic acid Formula: C13H17FN2O4S MolecularWeight: 316.348483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=C(C=C(C=C2)F)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=C(C=C(C=C2)F)C(=O)O

InChI

InChI=1S/C13H17FN2O4S/c14-10-5-6-12(11(9-10)13(17)18)15-21(19,20)16-7-3-1-2-4-8-16/h5-6,9,15H,1-4,7-8H2,(H,17,18)