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

Systemtic Name: N-[3-[4-chloranyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-nitro-benzenesulfonamide Formula: C16H16ClF3N4O4S MolecularWeight: 452.83585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClF3N4O4S/c17-13-14(10-5-6-10)23(22-15(13)16(18,19)20)8-2-7-21-29(27,28)12-4-1-3-11(9-12)24(25)26/h1,3-4,9-10,21H,2,5-8H2