(2S)-1-(4-fluorophenyl)sulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[4-(3-pyridinylmethylthio)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[4-(3-pyridylmethylthio)phenyl]pyrrolidine-2-carboxamide Formula: C23H22FN3O3S2 MolecularWeight: 471.567483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H22FN3O3S2/c24-18-5-11-21(12-6-18)32(29,30)27-14-2-4-22(27)23(28)26-19-7-9-20(10-8-19)31-16-17-3-1-13-25-15-17/h1,3,5-13,15,22H,2,4,14,16H2,(H,26,28)/t22-/m0/s1