[4-[2-(3-cyano-5-fluoranyl-phenyl)-5-(hydroxymethyl)-4-[(3-oxidanylcyclohexyl)carbamoyl]imidazol-1-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfinate

Systemtic Name: [4-[2-(3-cyano-5-fluoranyl-phenyl)-5-(hydroxymethyl)-4-[(3-oxidanylcyclohexyl)carbamoyl]imidazol-1-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfinate Openeye Name: [4-[2-(3-cyano-5-fluoro-phenyl)-4-[(3-hydroxycyclohexyl)carbamoyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl] 3,3,3-trifluoropropane-1-sulfinate CAS Name: 3,3,3-trifluoro-1-propanesulfinic acid IUPAC Name: [4-[2-(3-cyano-5-fluorophenyl)-4-[(3-hydroxycyclohexyl)carbamoyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl] 3,3,3-trifluoropropane-1-sulfinate Traditional Name: 3,3,3-trifluoropropane-1-sulfinic acid [4-[2-(3-cyano-5-fluoro-phenyl)-4-[(3-hydroxycyclohexyl)carbamoyl]-5-methylol-imidazol-1-yl]phenyl] ester Formula: C27H26F4N4O5S MolecularWeight: 594.577753

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)O)NC(=O)C2=C(N(C(=N2)C3=CC(=CC(=C3)C#N)F)C4=CC=C(C=C4)OS(=O)CCC(F)(F)F)CO

Isomeric SMILES

C1CC(CC(C1)O)NC(=O)C2=C(N(C(=N2)C3=CC(=CC(=C3)C#N)F)C4=CC=C(C=C4)OS(=O)CCC(F)(F)F)CO

InChI

InChI=1S/C27H26F4N4O5S/c28-18-11-16(14-32)10-17(12-18)25-34-24(26(38)33-19-2-1-3-21(37)13-19)23(15-36)35(25)20-4-6-22(7-5-20)40-41(39)9-8-27(29,30)31/h4-7,10-12,19,21,36-37H,1-3,8-9,13,15H2,(H,33,38)