5,5-dimethyl-2-[[(4-methylsulfonylphenyl)amino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[(4-methylsulfonylphenyl)amino]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(4-methylsulfonylanilino)methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(4-methylsulfonylanilino)methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(4-methylsulfonylanilino)methylidene]cyclohexane-1,3-dione Traditional Name: 2-[(4-mesylanilino)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=CC=C(C=C2)S(=O)(=O)C)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=CC=C(C=C2)S(=O)(=O)C)C(=O)C1)C

InChI

InChI=1S/C16H19NO4S/c1-16(2)8-14(18)13(15(19)9-16)10-17-11-4-6-12(7-5-11)22(3,20)21/h4-7,10,17H,8-9H2,1-3H3