1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(1-pyrrolidinyl)butyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-pyrrolidinobutyl)isonipecotamide Formula: C22H33N3O5S MolecularWeight: 451.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)N4CCCC4

Isomeric SMILES

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)N4CCCC4

InChI

InChI=1S/C22H33N3O5S/c1-2-18(24-9-3-4-10-24)16-23-22(26)17-7-11-25(12-8-17)31(27,28)19-5-6-20-21(15-19)30-14-13-29-20/h5-6,15,17-18H,2-4,7-14,16H2,1H3,(H,23,26)