4-[4-(5-chloranyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(5-chloranyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(5-chloro-2-hydroxy-benzoyl)pyrazol-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-1-pyrazolyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(5-chloro-2-hydroxy-benzoyl)pyrazol-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H19ClN4O6S MolecularWeight: 478.90606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O6S/c1-3-23(4-2)32(30,31)15-6-7-17(18(10-15)25(28)29)24-12-13(11-22-24)20(27)16-9-14(21)5-8-19(16)26/h5-12,26H,3-4H2,1-2H3