N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-benzenesulfonamide Formula: C14H15F3N4O4S MolecularWeight: 392.35351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H15F3N4O4S/c1-10-9-13(14(15,16)17)19-20(10)8-2-7-18-26(24,25)12-5-3-11(4-6-12)21(22)23/h3-6,9,18H,2,7-8H2,1H3