4-[4-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-4-yl]benzamide

Systemtic Name: 4-[4-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-4-yl]benzamide Openeye Name: 4-[4-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-4-yl]benzamide CAS Name: 4-[4-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-4-yl]benzamide IUPAC Name: 4-[4-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-4-yl]benzamide Traditional Name: 4-[4-(3-mesylphenyl)-3-(trifluoromethyl)-2-pyrazolin-4-yl]benzamide Formula: C18H16F3N3O3S MolecularWeight: 411.39815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2(C=NNC2C(F)(F)F)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2(C=NNC2C(F)(F)F)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H16F3N3O3S/c1-28(26,27)14-4-2-3-13(9-14)17(10-23-24-16(17)18(19,20)21)12-7-5-11(6-8-12)15(22)25/h2-10,16,24H,1H3,(H2,22,25)