N-[(5E)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(5E)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[(5E)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]-4-nitro-benzenesulfonamide CAS Name: N-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-thiazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[(5E)-4-keto-5-vanillylidene-2-thiazolin-2-yl]-4-nitro-benzenesulfonamide Formula: C17H13N3O7S2 MolecularWeight: 435.43102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H13N3O7S2/c1-27-14-8-10(2-7-13(14)21)9-15-16(22)18-17(28-15)19-29(25,26)12-5-3-11(4-6-12)20(23)24/h2-9,21H,1H3,(H,18,19,22)/b15-9+