6-[[[3-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[3-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(azepan-1-ylsulfonyl)anilino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(1-azepanylsulfonyl)anilino]methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(azepan-1-ylsulfonyl)anilino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(azepan-1-ylsulfonyl)anilino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C1=O

Isomeric SMILES

COC1=CC=CC(=CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C1=O

InChI

InChI=1S/C20H24N2O4S/c1-26-19-11-6-8-16(20(19)23)15-21-17-9-7-10-18(14-17)27(24,25)22-12-4-2-3-5-13-22/h6-11,14-15,21H,2-5,12-13H2,1H3