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

Systemtic Name: 6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-bromanyl-4-propan-2-yl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-2-bromo-4-isopropyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(1-azepanylsulfonyl)phenyl]hydrazinylidene]-2-bromo-4-propan-2-yl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-bromo-4-propan-2-ylcyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-2-bromo-4-isopropyl-cyclohexa-2,4-dien-1-one Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O3S/c1-15(2)16-13-19(22)21(26)20(14-16)24-23-17-7-9-18(10-8-17)29(27,28)25-11-5-3-4-6-12-25/h7-10,13-15,23H,3-6,11-12H2,1-2H3