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

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-tosyl-isonipecotamide Formula: C20H20F2N2O5S MolecularWeight: 438.445006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C20H20F2N2O5S/c1-13-2-5-16(6-3-13)30(26,27)24-10-8-14(9-11-24)19(25)23-15-4-7-17-18(12-15)29-20(21,22)28-17/h2-7,12,14H,8-11H2,1H3,(H,23,25)