6-[[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]methylidene]-3-(diethylamino)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]methylidene]-3-(diethylamino)cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-chloro-5-(1-piperidylsulfonyl)anilino]methylene]-3-(diethylamino)cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-chloro-5-(1-piperidinylsulfonyl)anilino]methylidene]-3-(diethylamino)-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2-chloro-5-piperidin-1-ylsulfonylanilino)methylidene]-3-(diethylamino)cyclohexa-2,4-dien-1-one Traditional Name: 6-[(2-chloro-5-piperidinosulfonyl-anilino)methylene]-3-(diethylamino)cyclohexa-2,4-dien-1-one Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-3-25(4-2)18-9-8-17(22(27)14-18)16-24-21-15-19(10-11-20(21)23)30(28,29)26-12-6-5-7-13-26/h8-11,14-16,24H,3-7,12-13H2,1-2H3