ethyl 3-[4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylcyclohexane-1-carboxylate

Systemtic Name: ethyl 3-[4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylcyclohexane-1-carboxylate Openeye Name: ethyl 3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylcyclohexanecarboxylate CAS Name: 3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylcyclohexane-1-carboxylate Traditional Name: 3-[4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylcyclohexanecarboxylic acid ethyl ester Formula: C26H26F3NO5S MolecularWeight: 521.54855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC(C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)NC(=O)C=C4C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCC(C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)NC(=O)C=C4C(F)(F)F

InChI

InChI=1S/C26H26F3NO5S/c1-2-35-25(32)18-4-3-5-20(14-18)36(33,34)19-9-6-16(7-10-19)12-17-8-11-23-21(13-17)22(26(27,28)29)15-24(31)30-23/h6-11,13,15,18,20H,2-5,12,14H2,1H3,(H,30,31)