1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(6-imidazol-1-ylpyridin-3-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(6-imidazol-1-ylpyridin-3-yl)piperidine-4-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(6-imidazol-1-yl-3-pyridyl)piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[6-(1-imidazolyl)-3-pyridinyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(6-imidazol-1-ylpyridin-3-yl)piperidine-4-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(6-imidazol-1-yl-3-pyridyl)isonipecotamide Formula: C22H23N5O5S MolecularWeight: 469.51352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CN=C(C=C2)N3C=CN=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CN=C(C=C2)N3C=CN=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H23N5O5S/c28-22(25-17-1-4-21(24-14-17)26-10-7-23-15-26)16-5-8-27(9-6-16)33(29,30)18-2-3-19-20(13-18)32-12-11-31-19/h1-4,7,10,13-16H,5-6,8-9,11-12H2,(H,25,28)