[4-[2-(2,2-dimethylpropanoylamino)-3-fluoranyl-phenoxy]phenyl] propane-2-sulfonate

Systemtic Name: [4-[2-(2,2-dimethylpropanoylamino)-3-fluoranyl-phenoxy]phenyl] propane-2-sulfonate Openeye Name: [4-[2-(2,2-dimethylpropanoylamino)-3-fluoro-phenoxy]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[2-(2,2-dimethylpropanoylamino)-3-fluorophenoxy]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[3-fluoro-2-(pivaloylamino)phenoxy]phenyl] ester Formula: C20H24FNO5S MolecularWeight: 409.471663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)OC2=C(C(=CC=C2)F)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)OC2=C(C(=CC=C2)F)NC(=O)C(C)(C)C

InChI

InChI=1S/C20H24FNO5S/c1-13(2)28(24,25)27-15-11-9-14(10-12-15)26-17-8-6-7-16(21)18(17)22-19(23)20(3,4)5/h6-13H,1-5H3,(H,22,23)