N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-4-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(2-chloro-6-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(=C(C(=C1)Cl)CN2C=C(C=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN2C=C(C=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])F

InChI

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