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

Systemtic Name: N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitro-benzenesulfonamide Formula: C16H17F3N4O4S MolecularWeight: 418.39079

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2CCCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CC1C2=CC(=NN2CCCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H17F3N4O4S/c17-16(18,19)15-10-14(11-5-6-11)22(21-15)8-2-7-20-28(26,27)13-4-1-3-12(9-13)23(24)25/h1,3-4,9-11,20H,2,5-8H2