3-[3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenoxy]pyrrolidine-1-sulfonic acid

Systemtic Name: 3-[3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenoxy]pyrrolidine-1-sulfonic acid Openeye Name: 3-[3-fluoro-5-(3-pyridylcarbamoylamino)phenoxy]pyrrolidine-1-sulfonic acid CAS Name: 3-[3-fluoro-5-[[oxo-(3-pyridinylamino)methyl]amino]phenoxy]-1-pyrrolidinesulfonic acid IUPAC Name: 3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]pyrrolidine-1-sulfonic acid Traditional Name: 3-[3-fluoro-5-(3-pyridylcarbamoylamino)phenoxy]pyrrolidine-1-sulfonic acid Formula: C16H17FN4O5S MolecularWeight: 396.393383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC2=CC(=CC(=C2)NC(=O)NC3=CN=CC=C3)F)S(=O)(=O)O

Isomeric SMILES

C1CN(CC1OC2=CC(=CC(=C2)NC(=O)NC3=CN=CC=C3)F)S(=O)(=O)O

InChI

InChI=1S/C16H17FN4O5S/c17-11-6-13(20-16(22)19-12-2-1-4-18-9-12)8-15(7-11)26-14-3-5-21(10-14)27(23,24)25/h1-2,4,6-9,14H,3,5,10H2,(H2,19,20,22)(H,23,24,25)