cyclohexyl 4-[[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]benzenesulfonate

Systemtic Name: cyclohexyl 4-[[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]benzenesulfonate Openeye Name: cyclohexyl 4-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]benzenesulfonate CAS Name: 4-[[[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]benzenesulfonic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]benzenesulfonate Traditional Name: 4-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]benzenesulfonic acid cyclohexyl ester Formula: C18H20F3N3O4S MolecularWeight: 431.42931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)OC3CCCCC3

Isomeric SMILES

CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)OC3CCCCC3

InChI

InChI=1S/C18H20F3N3O4S/c1-24-15(11-16(23-24)18(19,20)21)17(25)22-12-7-9-14(10-8-12)29(26,27)28-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,22,25)