N-[5-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: N-[5-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: N-[5-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: N-[5-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: N-[5-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C18H16F3N3O4S MolecularWeight: 427.39755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O4S/c1-27-15-9-8-12(10-16(15)28-2)14-11-17(18(19,20)21)22-24(14)23-29(25,26)13-6-4-3-5-7-13/h3-11,23H,1-2H3