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

Systemtic Name: 5-(3-chloranyl-4-ethynyl-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 5-(3-chloro-4-ethynyl-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 5-(3-chloro-4-ethynylphenyl)-2-(1-pyrazolyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 5-(3-chloro-4-ethynylphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 5-(3-chloro-4-ethynyl-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Formula: C18H11ClF3N3O2S MolecularWeight: 425.81205

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=C(C=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F)Cl

Isomeric SMILES

C#CC1=C(C=C(C=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H11ClF3N3O2S/c1-2-11-4-5-12(9-15(11)19)13-8-14(18(20,21)22)17(25-7-3-6-24-25)16(10-13)28(23,26)27/h1,3-10H,(H2,23,26,27)