N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-3-nitro-benzenesulfonamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-3-nitro-benzenesulfonamide Formula: C16H12ClFN4O4S MolecularWeight: 410.807283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F)[N+](=O)[O-]

InChI

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