1-[4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-6-yl]methyl]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[[2-keto-4-(trifluoromethyl)chromen-6-yl]methyl]phenyl]sulfonylproline Formula: C22H18F3NO6S MolecularWeight: 481.44163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H18F3NO6S/c23-22(24,25)17-12-20(27)32-19-8-5-14(11-16(17)19)10-13-3-6-15(7-4-13)33(30,31)26-9-1-2-18(26)21(28)29/h3-8,11-12,18H,1-2,9-10H2,(H,28,29)