N,N-diethyl-4-[4-(2-hydroxyphenyl)carbonylpyrazol-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-(2-hydroxyphenyl)carbonylpyrazol-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(2-hydroxyphenyl)-oxomethyl]-1-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(2-hydroxybenzoyl)pyrazol-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-(4-salicyloylpyrazol-1-yl)benzenesulfonamide Formula: C20H20N4O6S MolecularWeight: 444.461

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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=CC=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S/c1-3-22(4-2)31(29,30)15-9-10-17(18(11-15)24(27)28)23-13-14(12-21-23)20(26)16-7-5-6-8-19(16)25/h5-13,25H,3-4H2,1-2H3