N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(4-fluorophenyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(4-fluorophenyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(4-fluoroanilino)-3-nitro-benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(4-fluoroanilino)-3-nitrobenzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-fluoroanilino)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-fluoroanilino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzenesulfonamide Formula: C23H20FN5O5S MolecularWeight: 497.498803

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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)NC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H20FN5O5S/c1-15-22(23(30)28(27(15)2)18-6-4-3-5-7-18)26-35(33,34)19-12-13-20(21(14-19)29(31)32)25-17-10-8-16(24)9-11-17/h3-14,25-26H,1-2H3