(7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C25H28FNO5S MolecularWeight: 473.556923

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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=C(C=C(C=C4C)C)C

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C25H28FNO5S/c1-14-11-16(3)24(17(4)12-14)33(30,31)27-9-7-18(8-10-27)25(29)32-21-6-5-19(26)22-15(2)13-20(28)23(21)22/h5-6,11-12,15,18H,7-10,13H2,1-4H3