N-[2-[2-(4-chlorophenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-[2-(4-chlorophenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-4-nitro-benzenesulfonamide Openeye Name: N-[2-[2-(4-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxo-ethyl]-N-isobutyl-4-nitro-benzenesulfonamide CAS Name: N-[2-[2-(4-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[2-(4-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide Traditional Name: N-[2-[1-(4-chlorophenyl)-5-keto-3-phenyl-3-pyrazolin-4-yl]-2-keto-ethyl]-N-isobutyl-4-nitro-benzenesulfonamide Formula: C27H25ClN4O6S MolecularWeight: 569.0286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN4O6S/c1-18(2)16-30(39(37,38)23-14-12-22(13-15-23)32(35)36)17-24(33)25-26(19-6-4-3-5-7-19)29-31(27(25)34)21-10-8-20(28)9-11-21/h3-15,18,29H,16-17H2,1-2H3