N-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H24FN3O6S MolecularWeight: 477.505863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O6S/c23-16-1-4-18(5-2-16)33(29,30)26-11-8-15(9-12-26)22(28)24-10-7-21(27)25-17-3-6-19-20(13-17)32-14-31-19/h1-6,13,15H,7-12,14H2,(H,24,28)(H,25,27)