5-(4-methoxy-3-propyl-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 5-(4-methoxy-3-propyl-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 5-(4-methoxy-3-propyl-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 5-(4-methoxy-3-propylphenyl)-2-(1-pyrazolyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 5-(4-methoxy-3-propylphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 5-(4-methoxy-3-propyl-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Formula: C20H20F3N3O3S MolecularWeight: 439.45131

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F)OC

InChI

InChI=1S/C20H20F3N3O3S/c1-3-5-14-10-13(6-7-17(14)29-2)15-11-16(20(21,22)23)19(26-9-4-8-25-26)18(12-15)30(24,27)28/h4,6-12H,3,5H2,1-2H3,(H2,24,27,28)