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

Systemtic Name: [4-[2-(2-chlorophenyl)-4-methyl-5-[(2-oxidanylcyclohexyl)carbamoyl]pyrazol-3-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate Openeye Name: [4-[2-(2-chlorophenyl)-5-[(2-hydroxycyclohexyl)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-[(2-hydroxycyclohexyl)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-[(2-hydroxycyclohexyl)carbamoyl]-4-methyl-pyrazol-3-yl]phenyl] ester Formula: C26H27ClF3N3O5S MolecularWeight: 586.02289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NC2CCCCC2O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)OS(=O)(=O)CCC(F)(F)F

Isomeric SMILES

CC1=C(N(N=C1C(=O)NC2CCCCC2O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)OS(=O)(=O)CCC(F)(F)F

InChI

InChI=1S/C26H27ClF3N3O5S/c1-16-23(25(35)31-20-7-3-5-9-22(20)34)32-33(21-8-4-2-6-19(21)27)24(16)17-10-12-18(13-11-17)38-39(36,37)15-14-26(28,29)30/h2,4,6,8,10-13,20,22,34H,3,5,7,9,14-15H2,1H3,(H,31,35)