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

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(2-chloro-4-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=C(C=C2)F)Cl)C)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Cl)C)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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