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

Systemtic Name: 4-[3-[bis(fluoranyl)methyl]-5-(3-ethynyl-4-methoxy-phenyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[3-(difluoromethyl)-5-(3-ethynyl-4-methoxy-phenyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[3-(difluoromethyl)-5-(3-ethynyl-4-methoxyphenyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[3-(difluoromethyl)-5-(3-ethynyl-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[3-(difluoromethyl)-5-(3-ethynyl-4-methoxy-phenyl)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(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)F)C#C

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)F)C#C

InChI

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