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

Systemtic Name: 6-[[[3-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]-2-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(azepan-1-ylsulfonyl)anilino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(1-azepanylsulfonyl)anilino]methylidene]-2-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(azepan-1-ylsulfonyl)anilino]methylidene]-2-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(azepan-1-ylsulfonyl)anilino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C1=O

InChI

InChI=1S/C21H26N2O4S/c1-2-27-20-12-7-9-17(21(20)24)16-22-18-10-8-11-19(15-18)28(25,26)23-13-5-3-4-6-14-23/h7-12,15-16,22H,2-6,13-14H2,1H3