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

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic 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) (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C21H19F2NO5S MolecularWeight: 435.441066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19F2NO5S/c1-12-11-17(25)20-18(9-8-15(23)19(12)20)29-21(26)16-3-2-10-24(16)30(27,28)14-6-4-13(22)5-7-14/h4-9,12,16H,2-3,10-11H2,1H3/t12?,16-/m0/s1