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

Systemtic Name: 2,2-diethyl-4-[(2-methyl-5-methylsulfonyl-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-(2-methyl-5-methylsulfonyl-anilino)-4-oxo-butanoic acid CAS Name: 2,2-diethyl-4-(2-methyl-5-methylsulfonylanilino)-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-4-(2-methyl-5-methylsulfonylanilino)-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-keto-4-(5-mesyl-2-methyl-anilino)butyric acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5S/c1-5-16(6-2,15(19)20)10-14(18)17-13-9-12(23(4,21)22)8-7-11(13)3/h7-9H,5-6,10H2,1-4H3,(H,17,18)(H,19,20)