2,2-diethyl-3-[[3-[(7-fluoranylquinolin-2-yl)methylsulfonyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,2-diethyl-3-[[3-[(7-fluoranylquinolin-2-yl)methylsulfonyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-3-[3-[(7-fluoro-2-quinolyl)methylsulfonyl]anilino]-4-oxo-butanoic acid CAS Name: 2,2-diethyl-3-[3-[(7-fluoro-2-quinolinyl)methylsulfonyl]anilino]-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-3-[3-[(7-fluoroquinolin-2-yl)methylsulfonyl]anilino]-4-oxobutanoic acid Traditional Name: 2,2-diethyl-3-[3-[(7-fluoro-2-quinolyl)methylsulfonyl]anilino]-4-keto-butyric acid Formula: C24H25FN2O5S MolecularWeight: 472.529103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C=O)NC1=CC(=CC=C1)S(=O)(=O)CC2=NC3=C(C=CC(=C3)F)C=C2)C(=O)O

Isomeric SMILES

CCC(CC)(C(C=O)NC1=CC(=CC=C1)S(=O)(=O)CC2=NC3=C(C=CC(=C3)F)C=C2)C(=O)O

InChI

InChI=1S/C24H25FN2O5S/c1-3-24(4-2,23(29)30)22(14-28)27-18-6-5-7-20(13-18)33(31,32)15-19-11-9-16-8-10-17(25)12-21(16)26-19/h5-14,22,27H,3-4,15H2,1-2H3,(H,29,30)