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

Systemtic Name: N-(2-adamantyl)-1-(4-aminocarbonyl-2-fluoranyl-phenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-adamantyl)-1-(4-carbamoyl-2-fluoro-phenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(2-adamantyl)-1-(4-carbamoyl-2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-adamantyl)-1-(4-carbamoyl-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-adamantyl)-1-(4-carbamoyl-2-fluoro-phenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C22H28FN3O4S MolecularWeight: 449.538823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O4S/c23-17-11-14(21(24)27)3-4-19(17)31(29,30)26-5-1-2-18(26)22(28)25-20-15-7-12-6-13(9-15)10-16(20)8-12/h3-4,11-13,15-16,18,20H,1-2,5-10H2,(H2,24,27)(H,25,28)