N-(1,3-benzodioxol-5-yl)-1-(1-benzothiophen-2-ylcarbonyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(1-benzothiophen-2-ylcarbonyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(benzothiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[1-benzothiophen-2-yl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(1-benzothiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(benzothiophene-2-carbonyl)isonipecotamide Formula: C22H20N2O4S MolecularWeight: 408.4702

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=CC=CC=C5S4

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c25-21(23-16-5-6-17-18(12-16)28-13-27-17)14-7-9-24(10-8-14)22(26)20-11-15-3-1-2-4-19(15)29-20/h1-6,11-12,14H,7-10,13H2,(H,23,25)