[4-[2-(2,4-dichlorophenyl)-4-(hydroxymethyl)-5-[[5-(trifluoromethyl)pyridin-2-yl]carbamoyl]pyrazol-3-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate

Systemtic Name: [4-[2-(2,4-dichlorophenyl)-4-(hydroxymethyl)-5-[[5-(trifluoromethyl)pyridin-2-yl]carbamoyl]pyrazol-3-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate Openeye Name: [4-[2-(2,4-dichlorophenyl)-4-(hydroxymethyl)-5-[[5-(trifluoromethyl)-2-pyridyl]carbamoyl]pyrazol-3-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate CAS Name: 3,3,3-trifluoro-1-propanesulfonic acid IUPAC Name: [4-[2-(2,4-dichlorophenyl)-4-(hydroxymethyl)-5-[[5-(trifluoromethyl)pyridin-2-yl]carbamoyl]pyrazol-3-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate Traditional Name: 3,3,3-trifluoropropane-1-sulfonic acid [4-[2-(2,4-dichlorophenyl)-4-methylol-5-[[5-(trifluoromethyl)-2-pyridyl]carbamoyl]pyrazol-3-yl]phenyl] ester Formula: C26H18Cl2F6N4O5S MolecularWeight: 683.406339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=NC=C(C=C4)C(F)(F)F)CO)OS(=O)(=O)CCC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=NC=C(C=C4)C(F)(F)F)CO)OS(=O)(=O)CCC(F)(F)F

InChI

InChI=1S/C26H18Cl2F6N4O5S/c27-16-4-7-20(19(28)11-16)38-23(14-1-5-17(6-2-14)43-44(41,42)10-9-25(29,30)31)18(13-39)22(37-38)24(40)36-21-8-3-15(12-35-21)26(32,33)34/h1-8,11-12,39H,9-10,13H2,(H,35,36,40)