3-[bis(fluoranyl)methyl]-5-(3-ethynyl-4-methoxy-phenyl)-2-pyrazol-1-yl-benzenesulfonamide

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(3-ethynyl-4-methoxy-phenyl)-2-pyrazol-1-yl-benzenesulfonamide Openeye Name: 3-(difluoromethyl)-5-(3-ethynyl-4-methoxy-phenyl)-2-pyrazol-1-yl-benzenesulfonamide CAS Name: 3-(difluoromethyl)-5-(3-ethynyl-4-methoxyphenyl)-2-(1-pyrazolyl)benzenesulfonamide IUPAC Name: 3-(difluoromethyl)-5-(3-ethynyl-4-methoxyphenyl)-2-pyrazol-1-ylbenzenesulfonamide Traditional Name: 3-(difluoromethyl)-5-(3-ethynyl-4-methoxy-phenyl)-2-pyrazol-1-yl-benzenesulfonamide Formula: C19H15F2N3O3S MolecularWeight: 403.402506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)F)C#C

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)F)C#C

InChI

InChI=1S/C19H15F2N3O3S/c1-3-12-9-13(5-6-16(12)27-2)14-10-15(19(20)21)18(24-8-4-7-23-24)17(11-14)28(22,25)26/h1,4-11,19H,2H3,(H2,22,25,26)