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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2,5-bis(fluoranyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-difluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-difluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-N-piperonyl-isonipecotamide Formula: C20H20F2N2O5S MolecularWeight: 438.445006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC(=C4)F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C20H20F2N2O5S/c21-15-2-3-16(22)19(10-15)30(26,27)24-7-5-14(6-8-24)20(25)23-11-13-1-4-17-18(9-13)29-12-28-17/h1-4,9-10,14H,5-8,11-12H2,(H,23,25)