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

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)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-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic 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=CC=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28FNO5S/c1-15(2)17-4-6-19(7-5-17)33(30,31)27-12-10-18(11-13-27)25(29)32-22-9-8-20(26)23-16(3)14-21(28)24(22)23/h4-9,15-16,18H,10-14H2,1-3H3