6-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[5-(1-azepanylsulfonyl)-2-methoxyanilino]methylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-27-17-7-9-20(24)16(13-17)15-22-19-14-18(8-10-21(19)28-2)29(25,26)23-11-5-3-4-6-12-23/h7-10,13-15,22H,3-6,11-12H2,1-2H3