N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide Formula: C18H16ClFN4O4S MolecularWeight: 438.860443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClFN4O4S/c1-11-18(22-29(27,28)14-8-6-13(7-9-14)24(25)26)12(2)23(21-11)10-15-16(19)4-3-5-17(15)20/h3-9,22H,10H2,1-2H3