3-(phenylsulfonylamino)-4-[6-(trifluoromethyl)pyridin-3-yl]cyclopent-3-ene-1-carboxylic acid

Systemtic Name: 3-(phenylsulfonylamino)-4-[6-(trifluoromethyl)pyridin-3-yl]cyclopent-3-ene-1-carboxylic acid Openeye Name: 3-(benzenesulfonamido)-4-[6-(trifluoromethyl)-3-pyridyl]cyclopent-3-ene-1-carboxylic acid CAS Name: 3-(benzenesulfonamido)-4-[6-(trifluoromethyl)-3-pyridinyl]-1-cyclopent-3-enecarboxylic acid IUPAC Name: 3-(benzenesulfonamido)-4-[6-(trifluoromethyl)pyridin-3-yl]cyclopent-3-ene-1-carboxylic acid Traditional Name: 3-(benzenesulfonamido)-4-[6-(trifluoromethyl)-3-pyridyl]cyclopent-3-ene-1-carboxylic acid Formula: C18H15F3N2O4S MolecularWeight: 412.38291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=C1C2=CN=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(CC(=C1C2=CN=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H15F3N2O4S/c19-18(20,21)16-7-6-11(10-22-16)14-8-12(17(24)25)9-15(14)23-28(26,27)13-4-2-1-3-5-13/h1-7,10,12,23H,8-9H2,(H,24,25)