3-[bis(fluoranyl)methyl]-5-(3,4-dimethoxyphenyl)-2-pyrazol-1-yl-benzenesulfonamide

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(3,4-dimethoxyphenyl)-2-pyrazol-1-yl-benzenesulfonamide Openeye Name: 3-(difluoromethyl)-5-(3,4-dimethoxyphenyl)-2-pyrazol-1-yl-benzenesulfonamide CAS Name: 3-(difluoromethyl)-5-(3,4-dimethoxyphenyl)-2-(1-pyrazolyl)benzenesulfonamide IUPAC Name: 3-(difluoromethyl)-5-(3,4-dimethoxyphenyl)-2-pyrazol-1-ylbenzenesulfonamide Traditional Name: 3-(difluoromethyl)-5-(3,4-dimethoxyphenyl)-2-pyrazol-1-yl-benzenesulfonamide Formula: C18H17F2N3O4S MolecularWeight: 409.407086

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H17F2N3O4S/c1-26-14-5-4-11(9-15(14)27-2)12-8-13(18(19)20)17(23-7-3-6-22-23)16(10-12)28(21,24)25/h3-10,18H,1-2H3,(H2,21,24,25)