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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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