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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC=C3C=CC=C(C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC=C3C=CC=C(C3=O)OC

InChI

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