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

Systemtic Name: ethyl 1-[4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylnipecotic acid ethyl ester Formula: C25H25F3N2O5S MolecularWeight: 522.53661

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(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)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)NC(=O)C=C4C(F)(F)F

InChI

InChI=1S/C25H25F3N2O5S/c1-2-35-24(32)18-4-3-11-30(15-18)36(33,34)19-8-5-16(6-9-19)12-17-7-10-22-20(13-17)21(25(26,27)28)14-23(31)29-22/h5-10,13-14,18H,2-4,11-12,15H2,1H3,(H,29,31)