[4-[5-[[4,4-bis(fluoranyl)cyclohexyl]carbamoyl]-2-(2-chlorophenyl)-4-methyl-pyrazol-3-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate

Systemtic Name: [4-[5-[[4,4-bis(fluoranyl)cyclohexyl]carbamoyl]-2-(2-chlorophenyl)-4-methyl-pyrazol-3-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate Openeye Name: [4-[2-(2-chlorophenyl)-5-[(4,4-difluorocyclohexyl)carbamoyl]-4-methyl-pyrazol-3-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate CAS Name: 3,3,3-trifluoro-1-propanesulfonic acid IUPAC Name: [4-[2-(2-chlorophenyl)-5-[(4,4-difluorocyclohexyl)carbamoyl]-4-methylpyrazol-3-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate Traditional Name: 3,3,3-trifluoropropane-1-sulfonic acid [4-[2-(2-chlorophenyl)-5-[(4,4-difluorocyclohexyl)carbamoyl]-4-methyl-pyrazol-3-yl]phenyl] ester Formula: C26H25ClF5N3O4S MolecularWeight: 606.004416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NC2CCC(CC2)(F)F)C3=CC=CC=C3Cl)C4=CC=C(C=C4)OS(=O)(=O)CCC(F)(F)F

Isomeric SMILES

CC1=C(N(N=C1C(=O)NC2CCC(CC2)(F)F)C3=CC=CC=C3Cl)C4=CC=C(C=C4)OS(=O)(=O)CCC(F)(F)F

InChI

InChI=1S/C26H25ClF5N3O4S/c1-16-22(24(36)33-18-10-12-25(28,29)13-11-18)34-35(21-5-3-2-4-20(21)27)23(16)17-6-8-19(9-7-17)39-40(37,38)15-14-26(30,31)32/h2-9,18H,10-15H2,1H3,(H,33,36)