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

Systemtic Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-4-butan-2-yl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-4-sec-butyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[4-(1-azepanylsulfonyl)phenyl]hydrazinylidene]-4-butan-2-yl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-4-butan-2-ylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-4-sec-butyl-cyclohexa-2,4-dien-1-one Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-3-17(2)18-8-13-22(26)21(16-18)24-23-19-9-11-20(12-10-19)29(27,28)25-14-6-4-5-7-15-25/h8-13,16-17,23H,3-7,14-15H2,1-2H3/b24-21+