N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-nitro-benzenesulfonamide

Systemtic Name: N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-nitro-benzenesulfonamide Openeye Name: N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-nitrobenzenesulfonamide IUPAC Name: N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C21H23FN4O4S MolecularWeight: 446.495123

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC1=CC(=NN1)C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCCCCC1=CC(=NN1)C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN4O4S/c1-25(31(29,30)20-11-9-19(10-12-20)26(27)28)13-4-2-3-8-18-15-21(24-23-18)16-6-5-7-17(22)14-16/h5-7,9-12,14-15H,2-4,8,13H2,1H3,(H,23,24)