N-(1,3-benzodioxol-5-yl)-1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(4-fluorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[3-[(4-fluorophenyl)thio]propanoyl]isonipecotamide Formula: C22H23FN2O4S MolecularWeight: 430.492423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN2O4S/c23-16-1-4-18(5-2-16)30-12-9-21(26)25-10-7-15(8-11-25)22(27)24-17-3-6-19-20(13-17)29-14-28-19/h1-6,13,15H,7-12,14H2,(H,24,27)