(3Z,6E)-3-[[5-(4-methylphenyl)sulfonylpyridin-2-yl]methylidene]-6-phenethylidene-piperazine-2,5-dione

Systemtic Name: (3Z,6E)-3-[[5-(4-methylphenyl)sulfonylpyridin-2-yl]methylidene]-6-phenethylidene-piperazine-2,5-dione Openeye Name: (3E,6Z)-3-phenethylidene-6-[[5-(p-tolylsulfonyl)-2-pyridyl]methylene]piperazine-2,5-dione CAS Name: (3Z,6E)-3-[[5-(4-methylphenyl)sulfonyl-2-pyridinyl]methylidene]-6-phenethylidenepiperazine-2,5-dione IUPAC Name: (3Z,6E)-3-[[5-(4-methylphenyl)sulfonylpyridin-2-yl]methylidene]-6-phenethylidenepiperazine-2,5-dione Traditional Name: (3E,6Z)-3-phenethylidene-6-[(5-tosyl-2-pyridyl)methylene]piperazine-2,5-quinone Formula: C25H21N3O4S MolecularWeight: 459.51694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(C=C2)C=C3C(=O)NC(=CCC4=CC=CC=C4)C(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(C=C2)/C=C\3/C(=O)N/C(=C/CC4=CC=CC=C4)/C(=O)N3

InChI

InChI=1S/C25H21N3O4S/c1-17-7-11-20(12-8-17)33(31,32)21-13-10-19(26-16-21)15-23-25(30)27-22(24(29)28-23)14-9-18-5-3-2-4-6-18/h2-8,10-16H,9H2,1H3,(H,27,30)(H,28,29)/b22-14+,23-15-