3-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]cyclopent-3-ene-1-carboxylic acid

Systemtic Name: 3-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]cyclopent-3-ene-1-carboxylic acid Openeye Name: 3-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridyl]cyclopent-3-ene-1-carboxylic acid CAS Name: 3-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-cyclopent-3-enecarboxylic acid IUPAC Name: 3-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]cyclopent-3-ene-1-carboxylic acid Traditional Name: 3-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-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=CC=C(C=C2)S(=O)(=O)N)C3=NC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(CC(=C1C2=CC=C(C=C2)S(=O)(=O)N)C3=NC=C(C=C3)C(F)(F)F)C(=O)O

InChI

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