(7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-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-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C22H21F2NO5S MolecularWeight: 449.467646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21F2NO5S/c1-13-11-18(26)21-19(9-8-17(24)20(13)21)30-22(27)14-3-2-10-25(12-14)31(28,29)16-6-4-15(23)5-7-16/h4-9,13-14H,2-3,10-12H2,1H3