N-(2-adamantyl)-1-(4-cyano-2-fluoranyl-phenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-adamantyl)-1-(4-cyano-2-fluoranyl-phenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-adamantyl)-1-(4-cyano-2-fluoro-phenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(2-adamantyl)-1-(4-cyano-2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-adamantyl)-1-(4-cyano-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-adamantyl)-1-(4-cyano-2-fluoro-phenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C22H26FN3O3S MolecularWeight: 431.523543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=C(C=C(C=C2)C#N)F)C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=C(C=C(C=C2)C#N)F)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H26FN3O3S/c23-18-11-13(12-24)3-4-20(18)30(28,29)26-5-1-2-19(26)22(27)25-21-16-7-14-6-15(9-16)10-17(21)8-14/h3-4,11,14-17,19,21H,1-2,5-10H2,(H,25,27)