N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H19F2N3O7S MolecularWeight: 483.442566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C20H19F2N3O7S/c1-12-2-4-15(25(27)28)11-18(12)33(29,30)24-8-6-13(7-9-24)19(26)23-14-3-5-16-17(10-14)32-20(21,22)31-16/h2-5,10-11,13H,6-9H2,1H3,(H,23,26)