2-[[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[4-chloro-3-(1-piperidylsulfonyl)anilino]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[4-chloro-3-(1-piperidinylsulfonyl)anilino]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(4-chloro-3-piperidin-1-ylsulfonylanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(4-chloro-3-piperidinosulfonyl-anilino)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C20H25ClN2O4S MolecularWeight: 424.9415

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C(=O)C1)C

InChI

InChI=1S/C20H25ClN2O4S/c1-20(2)11-17(24)15(18(25)12-20)13-22-14-6-7-16(21)19(10-14)28(26,27)23-8-4-3-5-9-23/h6-7,10,13,22H,3-5,8-9,11-12H2,1-2H3