(7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate CAS Name: 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic 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-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

InChI

InChI=1S/C21H20FNO5S/c1-12-10-17(24)20-18(8-6-15(22)19(12)20)28-21(25)14-5-7-16-13(11-14)4-3-9-23(16)29(2,26)27/h5-8,11-12H,3-4,9-10H2,1-2H3