2,2-diethyl-4-[(2-fluoranyl-5-methylsulfonyl-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,2-diethyl-4-[(2-fluoranyl-5-methylsulfonyl-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-(2-fluoro-5-methylsulfonyl-anilino)-4-oxo-butanoic acid CAS Name: 2,2-diethyl-4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-(2-fluoro-5-mesyl-anilino)-4-keto-butyric acid Formula: C15H20FNO5S MolecularWeight: 345.386403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)F)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)F)C(=O)O

InChI

InChI=1S/C15H20FNO5S/c1-4-15(5-2,14(19)20)9-13(18)17-12-8-10(23(3,21)22)6-7-11(12)16/h6-8H,4-5,9H2,1-3H3,(H,17,18)(H,19,20)