4-[[[4-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]-2-ethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[4-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]-2-ethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)anilino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(1-azepanylsulfonyl)anilino]methylidene]-2-ethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)anilino]methylidene]-2-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)anilino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C=CC1=O

InChI

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