4-[(4E)-4-[(5-bromanyl-2-propan-2-yloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[(4E)-4-[(5-bromanyl-2-propan-2-yloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[(4E)-4-[(5-bromo-2-isopropoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[(4E)-4-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[(4E)-4-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[(4E)-4-(5-bromo-2-isopropoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzenesulfonamide Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OC(C)C)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=C(C=CC(=C2)Br)OC(C)C)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H20BrN3O4S/c1-12(2)28-19-9-4-15(21)10-14(19)11-18-13(3)23-24(20(18)25)16-5-7-17(8-6-16)29(22,26)27/h4-12H,1-3H3,(H2,22,26,27)/b18-11+