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

Systemtic Name: [4-[2-(3-cyano-5-fluoranyl-phenyl)-4-methyl-5-[(3-oxidanylcyclohexyl)carbamoyl]pyrazol-3-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate Openeye Name: [4-[2-(3-cyano-5-fluoro-phenyl)-5-[(3-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-(3-cyano-5-fluorophenyl)-5-[(3-hydroxycyclohexyl)carbamoyl]-4-methylpyrazol-3-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate Traditional Name: 3,3,3-trifluoropropane-1-sulfonic acid [4-[2-(3-cyano-5-fluoro-phenyl)-5-[(3-hydroxycyclohexyl)carbamoyl]-4-methyl-pyrazol-3-yl]phenyl] ester Formula: C27H26F4N4O5S MolecularWeight: 594.577753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NC2CCCC(C2)O)C3=CC(=CC(=C3)C#N)F)C4=CC=C(C=C4)OS(=O)(=O)CCC(F)(F)F

Isomeric SMILES

CC1=C(N(N=C1C(=O)NC2CCCC(C2)O)C3=CC(=CC(=C3)C#N)F)C4=CC=C(C=C4)OS(=O)(=O)CCC(F)(F)F

InChI

InChI=1S/C27H26F4N4O5S/c1-16-24(26(37)33-20-3-2-4-22(36)14-20)34-35(21-12-17(15-32)11-19(28)13-21)25(16)18-5-7-23(8-6-18)40-41(38,39)10-9-27(29,30)31/h5-8,11-13,20,22,36H,2-4,9-10,14H2,1H3,(H,33,37)