N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-4-(4-oxidanylpiperidin-1-yl)benzenesulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-4-(4-oxidanylpiperidin-1-yl)benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(4-hydroxy-1-piperidyl)-3-nitro-benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(4-hydroxy-1-piperidinyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-hydroxypiperidin-1-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-hydroxypiperidino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzenesulfonamide Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)N4CCC(CC4)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)N4CCC(CC4)O)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6S/c1-15-21(22(29)26(24(15)2)16-6-4-3-5-7-16)23-34(32,33)18-8-9-19(20(14-18)27(30)31)25-12-10-17(28)11-13-25/h3-9,14,17,23,28H,10-13H2,1-2H3