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

Systemtic Name: N-[3-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitro-benzenesulfonamide Formula: C14H14ClF3N4O4S MolecularWeight: 426.79857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClF3N4O4S/c1-9-12(15)13(14(16,17)18)20-21(9)7-3-6-19-27(25,26)11-5-2-4-10(8-11)22(23)24/h2,4-5,8,19H,3,6-7H2,1H3