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

Systemtic Name: 4-[[3-[(7-chloranylquinolin-2-yl)methylsulfonyl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[(7-chloro-2-quinolyl)methylsulfonyl]anilino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-[3-[(7-chloro-2-quinolinyl)methylsulfonyl]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[(7-chloroquinolin-2-yl)methylsulfonyl]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-[3-[(7-chloro-2-quinolyl)methylsulfonyl]anilino]-2,2-diethyl-4-keto-butyric acid Formula: C24H25ClN2O5S MolecularWeight: 488.9837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O5S/c1-3-24(4-2,23(29)30)14-22(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/h5-13H,3-4,14-15H2,1-2H3,(H,27,28)(H,29,30)