(2S)-N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-methylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-mesyl-pyrrolidine-2-carboxamide Formula: C13H14F2N2O5S MolecularWeight: 348.322466

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCC[C@H]1C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C13H14F2N2O5S/c1-23(19,20)17-6-2-3-9(17)12(18)16-8-4-5-10-11(7-8)22-13(14,15)21-10/h4-5,7,9H,2-3,6H2,1H3,(H,16,18)/t9-/m0/s1