N-(1,3-benzodioxol-5-yl)-1-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzothiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzothiophene-2-carbonyl)isonipecotamide Formula: C22H19FN2O4S MolecularWeight: 426.460663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=CC=C5S4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=CC=C5S4)F

InChI

InChI=1S/C22H19FN2O4S/c23-16-2-1-3-19-15(16)11-20(30-19)22(27)25-8-6-13(7-9-25)21(26)24-14-4-5-17-18(10-14)29-12-28-17/h1-5,10-11,13H,6-9,12H2,(H,24,26)