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

Systemtic Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-4-propan-2-yl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-4-isopropyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[4-(1-azepanylsulfonyl)phenyl]hydrazinylidene]-4-propan-2-yl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-4-propan-2-ylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-4-isopropyl-cyclohexa-2,4-dien-1-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-16(2)17-7-12-21(25)20(15-17)23-22-18-8-10-19(11-9-18)28(26,27)24-13-5-3-4-6-14-24/h7-12,15-16,22H,3-6,13-14H2,1-2H3/b23-20+