N,N-diethyl-2-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-5-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-2-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-5-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-2-[4-(5-fluoro-2-hydroxy-benzoyl)pyrazol-1-yl]-5-nitro-benzenesulfonamide CAS Name: N,N-diethyl-2-[4-[(5-fluoro-2-hydroxyphenyl)-oxomethyl]-1-pyrazolyl]-5-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-2-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-5-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-2-[4-(5-fluoro-2-hydroxy-benzoyl)pyrazol-1-yl]-5-nitro-benzenesulfonamide Formula: C20H19FN4O6S MolecularWeight: 462.451463

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)F)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)F)O

InChI

InChI=1S/C20H19FN4O6S/c1-3-23(4-2)32(30,31)19-10-15(25(28)29)6-7-17(19)24-12-13(11-22-24)20(27)16-9-14(21)5-8-18(16)26/h5-12,26H,3-4H2,1-2H3