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

Systemtic Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-bromanyl-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-2-bromo-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[4-(1-azepanylsulfonyl)phenyl]hydrazinylidene]-2-bromo-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-bromo-4-methylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-2-bromo-4-methyl-cyclohexa-2,4-dien-1-one Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)C(=C1)Br

Isomeric SMILES

CC1=C/C(=N\NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)/C(=O)C(=C1)Br

InChI

InChI=1S/C19H22BrN3O3S/c1-14-12-17(20)19(24)18(13-14)22-21-15-6-8-16(9-7-15)27(25,26)23-10-4-2-3-5-11-23/h6-9,12-13,21H,2-5,10-11H2,1H3/b22-18+