3,3-dimethyl-5-[(2-methyl-5-methylsulfonyl-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3,3-dimethyl-5-[(2-methyl-5-methylsulfonyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3,3-dimethyl-5-(2-methyl-5-methylsulfonyl-anilino)-5-oxo-pentanoate CAS Name: 3,3-dimethyl-5-(2-methyl-5-methylsulfonylanilino)-5-oxopentanoate IUPAC Name: 3,3-dimethyl-5-(2-methyl-5-methylsulfonylanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(5-mesyl-2-methyl-anilino)-3,3-dimethyl-valerate Formula: C15H20NO5S- MolecularWeight: 326.388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CC(C)(C)CC(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CC(C)(C)CC(=O)[O-]

InChI

InChI=1S/C15H21NO5S/c1-10-5-6-11(22(4,20)21)7-12(10)16-13(17)8-15(2,3)9-14(18)19/h5-7H,8-9H2,1-4H3,(H,16,17)(H,18,19)/p-1