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

Systemtic Name: N-[3-[bis(fluoranyl)methyl]-5-(3-bromanyl-4-methoxy-phenyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: N-[5-(3-bromo-4-methoxy-phenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: N-[5-(3-bromo-4-methoxyphenyl)-3-(difluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: N-[5-(3-bromo-4-methoxyphenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: N-[5-(3-bromo-4-methoxy-phenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C17H14BrF2N3O3S MolecularWeight: 458.277166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NN2NS(=O)(=O)C3=CC=CC=C3)C(F)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NN2NS(=O)(=O)C3=CC=CC=C3)C(F)F)Br

InChI

InChI=1S/C17H14BrF2N3O3S/c1-26-16-8-7-11(9-13(16)18)15-10-14(17(19)20)21-23(15)22-27(24,25)12-5-3-2-4-6-12/h2-10,17,22H,1H3