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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-[3-keto-3-(piperonylamino)propyl]isonipecotamide Formula: C23H26FN3O6S MolecularWeight: 491.532443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O6S/c24-18-2-4-19(5-3-18)34(30,31)27-11-8-17(9-12-27)23(29)25-10-7-22(28)26-14-16-1-6-20-21(13-16)33-15-32-20/h1-6,13,17H,7-12,14-15H2,(H,25,29)(H,26,28)