ethyl 1-methyl-5-oxidanylidene-2-(phenylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 1-methyl-5-oxidanylidene-2-(phenylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-(benzenesulfonylmethyl)-1-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-(benzenesulfonylmethyl)-1-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonylmethyl)-1-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-(besylmethyl)-5-keto-1-methyl-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C27H26F3NO5S MolecularWeight: 533.55925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC=CC=C3C(F)(F)F)C(=O)CCC2)C)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=CC=CC=C3C(F)(F)F)C(=O)CCC2)C)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26F3NO5S/c1-3-36-26(33)25-21(16-37(34,35)17-10-5-4-6-11-17)31(2)20-14-9-15-22(32)24(20)23(25)18-12-7-8-13-19(18)27(28,29)30/h4-8,10-13,23H,3,9,14-16H2,1-2H3