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

Systemtic Name: N-(3-fluoranyl-4-pyrazol-1-yl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(3-fluoro-4-pyrazol-1-yl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[3-fluoro-4-(1-pyrazolyl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(3-fluoro-4-pyrazol-1-ylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(3-fluoro-4-pyrazol-1-yl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C17H15FN4O4S MolecularWeight: 390.388803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC(=C(C=C2)N3C=CC=N3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC(=C(C=C2)N3C=CC=N3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15FN4O4S/c1-11-8-14(22(23)24)10-17(12(11)2)27(25,26)20-13-4-5-16(15(18)9-13)21-7-3-6-19-21/h3-10,20H,1-2H3