4-chloranyl-N-[2-[2-(4-fluorophenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-3-nitro-N-propyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-[2-(4-fluorophenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-3-nitro-N-propyl-benzenesulfonamide Openeye Name: 4-chloro-N-[2-[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxo-ethyl]-3-nitro-N-propyl-benzenesulfonamide CAS Name: 4-chloro-N-[2-[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-3-nitro-N-propylbenzenesulfonamide IUPAC Name: 4-chloro-N-[2-[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-3-nitro-N-propylbenzenesulfonamide Traditional Name: 4-chloro-N-[2-[1-(4-fluorophenyl)-5-keto-3-phenyl-3-pyrazolin-4-yl]-2-keto-ethyl]-3-nitro-N-propyl-benzenesulfonamide Formula: C26H22ClFN4O6S MolecularWeight: 572.992483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClFN4O6S/c1-2-14-30(39(37,38)20-12-13-21(27)22(15-20)32(35)36)16-23(33)24-25(17-6-4-3-5-7-17)29-31(26(24)34)19-10-8-18(28)9-11-19/h3-13,15,29H,2,14,16H2,1H3