N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-piperonyl-isonipecotamide Formula: C21H22ClFN2O5S MolecularWeight: 468.926183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H22ClFN2O5S/c22-17-2-1-3-18(23)16(17)12-31(27,28)25-8-6-15(7-9-25)21(26)24-11-14-4-5-19-20(10-14)30-13-29-19/h1-5,10,15H,6-9,11-13H2,(H,24,26)