(7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C23H21F4NO5S MolecularWeight: 499.475153

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H21F4NO5S/c1-13-11-18(29)21-19(6-5-17(24)20(13)21)33-22(30)14-7-9-28(10-8-14)34(31,32)16-4-2-3-15(12-16)23(25,26)27/h2-6,12-14H,7-11H2,1H3