[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C27H29F3N2O5S MolecularWeight: 550.58977

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)C)C

InChI

InChI=1S/C27H29F3N2O5S/c1-26(2)20-8-4-6-10-22(20)31(3)24(26)16-19(33)17-37-25(34)18-12-14-32(15-13-18)38(35,36)23-11-7-5-9-21(23)27(28,29)30/h4-11,16,18H,12-15,17H2,1-3H3