N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-4-yl]-4-nitro-benzenesulfonamide Formula: C16H12ClFN4O4S MolecularWeight: 410.807283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H12ClFN4O4S/c17-16-7-12(18)2-1-11(16)9-21-10-13(8-19-21)20-27(25,26)15-5-3-14(4-6-15)22(23)24/h1-8,10,20H,9H2