6-[[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]methylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]methylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]methylene]-3-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[5-(1-azepanylsulfonyl)-2-chloroanilino]methylidene]-3-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[5-(azepan-1-ylsulfonyl)-2-chloroanilino]methylidene]-3-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]methylene]-3-ethoxy-cyclohexa-2,4-dien-1-one Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-2-28-17-8-7-16(21(25)13-17)15-23-20-14-18(9-10-19(20)22)29(26,27)24-11-5-3-4-6-12-24/h7-10,13-15,23H,2-6,11-12H2,1H3