(6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-bromanyl-4-tert-butyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-bromanyl-4-tert-butyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-2-bromo-4-tert-butyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[4-(1-azepanylsulfonyl)phenyl]hydrazinylidene]-2-bromo-4-tert-butyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-bromo-4-tert-butylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-2-bromo-4-tert-butyl-cyclohexa-2,4-dien-1-one Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)C(=C1)Br

Isomeric SMILES

CC(C)(C)C1=C/C(=N\NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)/C(=O)C(=C1)Br

InChI

InChI=1S/C22H28BrN3O3S/c1-22(2,3)16-14-19(23)21(27)20(15-16)25-24-17-8-10-18(11-9-17)30(28,29)26-12-6-4-5-7-13-26/h8-11,14-15,24H,4-7,12-13H2,1-3H3/b25-20+