5-(3-chloranyl-4-ethynyl-phenyl)-2-fluoranyl-4-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 5-(3-chloranyl-4-ethynyl-phenyl)-2-fluoranyl-4-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 5-(3-chloro-4-ethynyl-phenyl)-2-fluoro-4-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 5-(3-chloro-4-ethynylphenyl)-2-fluoro-4-(1-pyrazolyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 5-(3-chloro-4-ethynylphenyl)-2-fluoro-4-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 5-(3-chloro-4-ethynyl-phenyl)-2-fluoro-4-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Formula: C18H10ClF4N3O2S MolecularWeight: 443.802513

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=C(C=C1)C2=CC(=C(C(=C2N3C=CC=N3)C(F)(F)F)F)S(=O)(=O)N)Cl

Isomeric SMILES

C#CC1=C(C=C(C=C1)C2=CC(=C(C(=C2N3C=CC=N3)C(F)(F)F)F)S(=O)(=O)N)Cl

InChI

InChI=1S/C18H10ClF4N3O2S/c1-2-10-4-5-11(8-13(10)19)12-9-14(29(24,27)28)16(20)15(18(21,22)23)17(12)26-7-3-6-25-26/h1,3-9H,(H2,24,27,28)