5-chloranyl-6-fluoranyl-2-methyl-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-2,3-dihydroquinolin-4-one

Systemtic Name: 5-chloranyl-6-fluoranyl-2-methyl-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-2,3-dihydroquinolin-4-one Openeye Name: 5-chloro-6-fluoro-2-methyl-1-[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]-2,3-dihydroquinolin-4-one CAS Name: 5-chloro-6-fluoro-2-methyl-1-[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-2,3-dihydroquinolin-4-one IUPAC Name: 5-chloro-6-fluoro-2-methyl-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-2,3-dihydroquinolin-4-one Traditional Name: 5-chloro-6-fluoro-2-methyl-1-[(2S)-1-tosylprolyl]-2,3-dihydroquinolin-4-one Formula: C22H22ClFN2O4S MolecularWeight: 464.937483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(N1C(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C)C=CC(=C2Cl)F

Isomeric SMILES

CC1CC(=O)C2=C(N1C(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)C)C=CC(=C2Cl)F

InChI

InChI=1S/C22H22ClFN2O4S/c1-13-5-7-15(8-6-13)31(29,30)25-11-3-4-18(25)22(28)26-14(2)12-19(27)20-17(26)10-9-16(24)21(20)23/h5-10,14,18H,3-4,11-12H2,1-2H3/t14?,18-/m0/s1